From owner-chemistry@ccl.net Wed Jul 29 09:31:00 2009
From: "Joseph M Leonard jleonard42],[gmail.com" <owner-chemistry() server.ccl.net>
To: CCL
Subject: CCL: Suggested external drive for Mac
Message-Id: <-39872-090729092515-17069-WvU0MWGFuj6hEc4olx/+dA() server.ccl.net>
X-Original-From: Joseph M Leonard <jleonard42~!~gmail.com>
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Date: Wed, 29 Jul 2009 08:51:33 -0400
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Sent to CCL by: Joseph M Leonard [jleonard42(0)gmail.com]
--0016e6db2dbb9a87cb046fd7a568
Content-Type: text/plain; charset=ISO-8859-1
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Folks, as I figure people reading this list connect external drives to Macs
(and to PC's and ...), I thought I'd ask for recommendations re: a good
backup drive for home use.  I'm looking for a 1Tb drive, which will hold
movies, pictures, music, the normal "life" stuff one accumulates.  I would
prefer a higher-speed interface (FW 800, for example), but higher quality
with FW 400 would be acceptable.

Strong feelings either way would be helpful, as I'd welcome things-to-avoid
as well as things-to-consider...

Thanks in advance!

Joe Leonard
jleonard42*gmail.com

-- 
The band is just fantastic, that is really what I think...  Oh, by the way,
which one's Pink?

--0016e6db2dbb9a87cb046fd7a568
Content-Type: text/html; charset=ISO-8859-1
Content-Transfer-Encoding: quoted-printable

Folks, as I figure people reading this list connect external drives to Macs=
 (and to PC&#39;s and ...), I thought I&#39;d ask for recommendations re: a=
 good backup drive for home use.=A0 I&#39;m looking for a 1Tb drive, which =
will hold movies, pictures, music, the normal &quot;life&quot; stuff one ac=
cumulates.=A0 I would prefer a higher-speed interface (FW 800, for example)=
, but higher quality with FW 400 would be acceptable.<br>
<br>Strong feelings either way would be helpful, as I&#39;d welcome things-=
to-avoid as well as things-to-consider...<br><br>Thanks in advance!<br><br>=
Joe Leonard<br><a href=3D"mailto:jleonard42*gmail.com">jleonard42*gmail.com=
</a><br clear=3D"all">
<br>-- <br>The band is just fantastic, that is really what I think... =A0Oh=
, by the way, which one&#39;s Pink? <br><br>

--0016e6db2dbb9a87cb046fd7a568--


From owner-chemistry@ccl.net Wed Jul 29 10:48:01 2009
From: "Day, Paul N CTR USAF AFMC AFRL/RXPJE Paul.Day!=!WPAFB.AF.MIL" <owner-chemistry__server.ccl.net>
To: CCL
Subject: CCL: two photon exitation
Message-Id: <-39873-090729094652-25338-g1wi6jzsjRKIgN5AsQeazA__server.ccl.net>
X-Original-From: "Day, Paul N CTR USAF AFMC AFRL/RXPJE" <Paul.Day**WPAFB.AF.MIL>
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	charset="us-ascii"
Date: Wed, 29 Jul 2009 09:02:56 -0400
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Sent to CCL by: "Day, Paul N CTR USAF AFMC AFRL/RXPJE" [Paul.Day.:.WPAFB.AF.MIL]
The Dalton program can be used to calculate two-photon absorption using
quadratic TDDFT.

Paul

-----Original Message-----
> From: owner-chemistry+paul.day=3D=3Dwpafb.af.mil*_*ccl.net
[mailto:owner-chemistry+paul.day=3D=3Dwpafb.af.mil*_*ccl.net] On Behalf Of
Sunder Bugya sunderbugya ~ yahoo.com
Sent: Tuesday, July 28, 2009 4:55 AM
To: Day, Paul N CTR USAF AFMC AFRL/RXPJE
Subject: CCL: two photon exitation


Sent to CCL by: "Sunder   Bugya" [sunderbugya * yahoo.com]

I am looking for methodologies for calculating two photon exitation
properties of small (mw: 300-700) organic molecules. I am especially
intersted in finding something for calculating the two photon absorbtion
spectra.=20
Thanks for all help.
sunderbugya|*|yahoo.com



-=3D This is automatically added to each message by the mailing script =
=3D-http://www.ccl.net/cgi-bin/ccl/send_ccl_messageSubscribe/Unsubscribe:=20Job: http://www.ccl.net/jobs=20http://www.ccl.net/spammers.txt

From owner-chemistry@ccl.net Wed Jul 29 11:35:00 2009
From: "Mahmoud A. A. Ibrahim m.ibrahim1982{}yahoo.com" <owner-chemistry]~[server.ccl.net>
To: CCL
Subject: CCL:G: Error performing ONIOM calculation in MM part
Message-Id: <-39874-090729113408-25679-Mq1Mdq8sq5MgWcUTJHqT/A]~[server.ccl.net>
X-Original-From: "Mahmoud A. A. Ibrahim" <m.ibrahim1982[*]yahoo.com>
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Date: Wed, 29 Jul 2009 08:25:26 -0700 (PDT)
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Sent to CCL by: "Mahmoud A. A. Ibrahim" [m.ibrahim1982|-|yahoo.com]

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Content-Type: text/plain; charset=iso-8859-1
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In order to know which parameters you are missing for your compound (Protei=
n/ligand), you should use antechamber program and parameter check program (=
parmchk), these two programs are shipped with AMBER.
Antechamber to assign the atom types, and parmchk to find the missing ones,=
 Antechamber can be used in cooporation with gaff.
Note: Gaussian versions upto 03 uses parm94 force field, so YOU HAVE TO def=
ine parm95 in your command in parmchk (-p parm95).
Sincerely;
M. Ibrahim

Mahmoud A. A. Ibrahim

Current Address
School of Chemistry, University of Manchester,=20
Oxford Road, Manchester, M13 9PL, United Kingdom.
Mahmoud.Ibrahim-2/a\postgrad.manchester.ac.uk=20
=20
               Home Address                  =20
    Chemistry Department, Faculty of Science,=20
              Minia University,=20
             Minia 61519,Egypt.=20
         M.Ibrahim1982/a\yahoo.com=20
      Mobile Phone No.: +20102554083 =20
       Land Phone No.: +20226635916=20
           Fax No.: +20862342601

--- On Tue, 7/21/09, Beatriz C Ramirez bea_ucv__yahoo.com <owner-chemistry/a\=
ccl.net> wrote:

> From: Beatriz C Ramirez bea_ucv__yahoo.com <owner-chemistry/a\ccl.net>
Subject: CCL:G: Error performing ONIOM calculation in MM part
To: "Ibrahim, Mahmoud A. A. " <m.ibrahim1982/a\yahoo.com>
Date: Tuesday, July 21, 2009, 5:25 AM


Sent to CCL by: "Beatriz C Ramirez" [bea_ucv _ yahoo.com]
Im trying to perform an ONIOM calculation pm3:amber with a .pdb structure f=
rom an enzymatic intermediate. I added the amber atom types and the charges=
 for the MM atoms but I still got this error.

Angle bend undefined between atoms=A0=A0=A071=A0=A0=A074=A0=A0=A075
 Angle bend undefined between atoms=A0=A0=A072=A0=A0=A071=A0=A0=A074
 Angle bend undefined between atoms=A0=A0=A073=A0=A0=A074=A0=A0=A075
 Angle bend undefined between atoms=A0=A0=A074=A0=A0=A075=A0=A0=A076
 Angle bend undefined between atoms=A0 141=A0 =A0 8=A0 144
 MM function not complete
 Error termination via Lnk1e in C:\G03W\l101.exe at Mon Jul 20 19:27:33 200=
9.
 Job cpu time:=A0 0 days=A0 0 hours=A0 0 minutes=A0 5.0 seconds.
 File lengths (MBytes):=A0 RWF=3D=A0 =A0 =A0 7 Int=3D=A0 =A0 =A0 0 D2E=3D=
=A0 =A0 =A0 0 Chk=3D=A0 =A0 =A0 1 Scr=3D=A0 =A0 =A0 1

Apparently I have to specify some angles, but I dont know how to do it, or =
how to edit this AMBER parameters, such as impropers or dihedrals for this =
molecule.

I'll appreacite your help because im running out of ideas
Beatriz Ramirez



-=3D This is automatically added to each message by the mailing script =3D-=A0 =A0 =A0=A0 =A0 =A0Subscribe/Unsubscribe:=20
=A0 =A0 =A0Job: http://www.ccl.net/jobs=20=A0 =A0 =A0=0A=0A=0A      
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Content-Transfer-Encoding: quoted-printable

<table cellspacing=3D"0" cellpadding=3D"0" border=3D"0" ><tr><td valign=3D"=
top" style=3D"font: inherit;">In order to know which parameters you are mis=
sing for your compound (Protein/ligand), you should use antechamber program=
 and parameter check program (parmchk), these two programs are shipped with=
 AMBER.<br>Antechamber to assign the atom types, and parmchk to find the mi=
ssing ones, Antechamber can be used in cooporation with gaff.<br>Note: Gaus=
sian versions upto 03 uses parm94 force field, so YOU HAVE TO define parm95=
 in your command in parmchk (-p parm95).<br>Sincerely;<br>M. Ibrahim<br><br=
><div style=3D"text-align: center;"><span style=3D"font-weight: bold; font-=
style: italic;">Mahmoud A. A. Ibrahim</span><br></div><span style=3D"font-w=
eight: bold;"><br></span><div style=3D"text-align: center;"><span style=3D"=
font-weight: bold;">Current Address</span><br></div><div style=3D"margin-le=
ft: 40px; text-align: center;">School of Chemistry, University of Mancheste=
r, <br>Oxford
 Road, Manchester, M13 9PL, United Kingdom.<br>Mahmoud.Ibrahim-2/a\postgrad.m=
anchester.ac.uk <br></div> <br><div style=3D"text-align: center;"><span sty=
le=3D"font-weight: bold;">               Home Address                   </s=
pan><br></div><div style=3D"margin-left: 40px;"><div style=3D"text-align: c=
enter;">    Chemistry Department, Faculty of Science, <br>              Min=
ia University, <br>             Minia 61519,Egypt. <br>         M.Ibrahim19=
82/a\yahoo.com <br>      Mobile Phone No.: +20102554083  <br></div><div style=
=3D"text-align: center;">       Land Phone No.: +20226635916 <br>          =
 Fax No.: +20862342601</div></div><br><br>--- On <b>Tue, 7/21/09, Beatriz C=
 Ramirez bea_ucv__yahoo.com <i>&lt;owner-chemistry/a\ccl.net&gt;</i></b> wrot=
e:<br><blockquote style=3D"border-left: 2px solid rgb(16, 16, 255); margin-=
left: 5px; padding-left: 5px;"><br>From: Beatriz C Ramirez bea_ucv__yahoo.c=
om &lt;owner-chemistry/a\ccl.net&gt;<br>Subject: CCL:G: Error performing ONIO=
M
 calculation in MM part<br>To: "Ibrahim, Mahmoud A. A. " &lt;m.ibra=
him1982/a\yahoo.com&gt;<br>Date: Tuesday, July 21, 2009, 5:25 AM<br><br><div =
class=3D"plainMail"><br>Sent to CCL by: "Beatriz C Ramirez" [bea_ucv _ yaho=
o.com]<br>Im trying to perform an ONIOM calculation pm3:amber with a .pdb s=
tructure from an enzymatic intermediate. I added the amber atom types and t=
he charges for the MM atoms but I still got this error.<br><br>Angle bend u=
ndefined between atoms&nbsp;&nbsp;&nbsp;71&nbsp;&nbsp;&nbsp;74&nbsp;&nbsp;&=
nbsp;75<br> Angle bend undefined between atoms&nbsp;&nbsp;&nbsp;72&nbsp;&nb=
sp;&nbsp;71&nbsp;&nbsp;&nbsp;74<br> Angle bend undefined between atoms&nbsp=
;&nbsp;&nbsp;73&nbsp;&nbsp;&nbsp;74&nbsp;&nbsp;&nbsp;75<br> Angle bend unde=
fined between atoms&nbsp;&nbsp;&nbsp;74&nbsp;&nbsp;&nbsp;75&nbsp;&nbsp;&nbs=
p;76<br> Angle bend undefined between atoms&nbsp; 141&nbsp; &nbsp; 8&nbsp; =
144<br> MM function not complete<br> Error termination via Lnk1e in
 C:\G03W\l101.exe at Mon Jul 20 19:27:33 2009.<br> Job cpu time:&nbsp; 0 da=
ys&nbsp; 0 hours&nbsp; 0 minutes&nbsp; 5.0 seconds.<br> File lengths (MByte=
s):&nbsp; RWF=3D&nbsp; &nbsp; &nbsp; 7 Int=3D&nbsp; &nbsp; &nbsp; 0 D2E=3D&=
nbsp; &nbsp; &nbsp; 0 Chk=3D&nbsp; &nbsp; &nbsp; 1 Scr=3D&nbsp; &nbsp; &nbs=
p; 1<br><br>Apparently I have to specify some angles, but I dont know how t=
o do it, or how to edit this AMBER parameters, such as impropers or dihedra=
ls for this molecule.<br><br>I'll appreacite your help because im running o=
ut of ideas<br>Beatriz Ramirez<br><br><br><br>-=3D This is automatically ad=
ded to each message by the mailing script =3D-<br>To recover the email addr=
ess of the author of the message, please change<br>the strange characters o=
n the top line to the /a\ sign. You can also<br>look up the X-Original-From: =
line in the mail header.<br><br>E-mail to subscribers: <a ymailto=3D"mailto=
:CHEMISTRY/a\ccl.net" href=3D"/mc/compose?to=3DCHEMISTRY/a\ccl.net">CHEMISTRY/a\c=
cl.net</a> or
 use:<br>&nbsp; &nbsp; &nbsp; <a href=3D"http://www.ccl.net/cgi-bin/ccl/sen=
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ssage</a><br><br>E-mail to administrators: <a ymailto=3D"mailto:CHEMISTRY-R=
EQUEST/a\ccl.net" href=3D"/mc/compose?to=3DCHEMISTRY-REQUEST/a\ccl.net">CHEMIST=
RY-REQUEST/a\ccl.net</a> or use<br>&nbsp; &nbsp; &nbsp; <a href=3D"http://www=
.ccl.net/cgi-bin/ccl/send_ccl_message" target=3D"_blank">http://www.ccl.net=
/cgi-bin/ccl/send_ccl_message</a><br><br<br>&nbsp; =
&nbsp; &nbsp; <a href=3D"http://www.ccl.net/chemistry/sub_unsub.shtml" targ=
et=3D"_blank">http://www.ccl.net/chemistry/sub_unsub.shtml</a><br><br>Befor=
e posting, check wait time at: <a href=3D"http://www.ccl.net" target=3D"_bl=
ank">http://www.ccl.net</a><br><br>Job: <a href=3D"http://www.ccl.net/jobs"=
 target=3D"_blank">http://www.ccl.net/jobs</a> <br>Conferences: <a href=3D"=
http://server.ccl.net/chemistry/announcements/conferences/"
 target=3D"_blank">http://server.ccl.net/chemistry/announcements/conference=
s/</a><br><br>Search Messages: <a href=3D"http://www.ccl.net/chemistry/sear=
chccl/index.shtml" target=3D"_blank">http://www.ccl.net/chemistry/searchccl=
/index.shtml</a><br><br>If your mail bounces from CCL with 5.7.1 error, che=
ck:<br>&nbsp; &nbsp; &nbsp; <a href=3D"http://www.ccl.net/spammers.txt" tar=
get=3D"_blank">http://www.ccl.net/spammers.txt</a><br><br>RTFI: <a href=3D"=
http://www.ccl.net/chemistry/aboutccl/instructions/" target=3D"_blank">http=
://www.ccl.net/chemistry/aboutccl/instructions/</a><br><br><br></div></bloc=
kquote></td></tr></table><br>=0A=0A      
--0-1266183219-1248881126=:80270--


From owner-chemistry@ccl.net Wed Jul 29 12:45:00 2009
From: "William Polik polik/./hope.edu" <owner-chemistry .. server.ccl.net>
To: CCL
Subject: CCL: Suggested external drive for Mac
Message-Id: <-39875-090729115843-10723-EbHVymuh/WfVbFbFLvF5IQ .. server.ccl.net>
X-Original-From: William Polik <polik-#-hope.edu>
Content-Type: multipart/alternative; boundary=001636426f43ab90e3046fd94583
Date: Wed, 29 Jul 2009 10:47:52 -0400
MIME-Version: 1.0


Sent to CCL by: William Polik [polik*hope.edu]
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1TB backup drive for a Mac?  Two words:  TIME CAPSULE

It does background backups from which one can do partial or complete
restorations.  It is also accessible by other computers (including PC's),
and it can serve as a wireless/wired router (or access point).

Will
On Wed, Jul 29, 2009 at 8:51 AM, Joseph M Leonard jleonard42],[gmail.com <
owner-chemistry]_[ccl.net> wrote:

> Folks, as I figure people reading this list connect external drives to Macs
> (and to PC's and ...), I thought I'd ask for recommendations re: a good
> backup drive for home use.  I'm looking for a 1Tb drive, which will hold
> movies, pictures, music, the normal "life" stuff one accumulates.  I would
> prefer a higher-speed interface (FW 800, for example), but higher quality
> with FW 400 would be acceptable.
>
> Strong feelings either way would be helpful, as I'd welcome things-to-avoid
> as well as things-to-consider...
>
> Thanks in advance!
>
> Joe Leonard
> jleonard42-.-gmail.com
>
> --
> The band is just fantastic, that is really what I think...  Oh, by the way,
> which one's Pink?
>
>

--001636426f43ab90e3046fd94583
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<div>1TB backup drive for a Mac?=A0 Two words:=A0 TIME CAPSULE</div>
<div>=A0</div>
<div>It does background backups from which one can do partial or complete r=
estorations.=A0 It is also accessible by other computers (including PC&#39;=
s), and it can serve as a wireless/wired router (or access point).</div>

<div>=A0</div>
<div>Will<br></div>
<div class=3D"gmail_quote">On Wed, Jul 29, 2009 at 8:51 AM, Joseph M Leonar=
d jleonard42],[<a href=3D"http://gmail.com">gmail.com</a> <span dir=3D"ltr"=
>&lt;<a href=3D"mailto:owner-chemistry]_[ccl.net">owner-chemistry]_[ccl.net</a>=
&gt;</span> wrote:<br>

<blockquote class=3D"gmail_quote" style=3D"PADDING-LEFT: 1ex; MARGIN: 0px 0=
px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Folks, as I figure people readin=
g this list connect external drives to Macs (and to PC&#39;s and ...), I th=
ought I&#39;d ask for recommendations re: a good backup drive for home use.=
=A0 I&#39;m looking for a 1Tb drive, which will hold movies, pictures, musi=
c, the normal &quot;life&quot; stuff one accumulates.=A0 I would prefer a h=
igher-speed interface (FW 800, for example), but higher quality with FW 400=
 would be acceptable.<br>
<br>Strong feelings either way would be helpful, as I&#39;d welcome things-=
to-avoid as well as things-to-consider...<br><br>Thanks in advance!<br><br>=
Joe Leonard<br><a href=3D"mailto:jleonard42-.-gmail.com" target=3D"_blank">=
jleonard42-.-gmail.com</a><br clear=3D"all">
<font color=3D"#888888"><br>-- <br>The band is just fantastic, that is real=
ly what I think... =A0Oh, by the way, which one&#39;s Pink? <br><br></font>=
</blockquote></div><br>

--001636426f43ab90e3046fd94583--


From owner-chemistry@ccl.net Wed Jul 29 15:12:01 2009
From: "Thomas Patko tpatko|a|gmail.com" <owner-chemistry%%server.ccl.net>
To: CCL
Subject: CCL: Suggested external drive for Mac
Message-Id: <-39876-090729145024-18582-ulm9QKr0DAmt/onxWVyslQ%%server.ccl.net>
X-Original-From: Thomas Patko <tpatko^^^gmail.com>
Content-Type: multipart/alternative; boundary=0016e64eabf4ce3f10046fdbda1c
Date: Wed, 29 Jul 2009 10:52:45 -0700
MIME-Version: 1.0


Sent to CCL by: Thomas Patko [tpatko!A!gmail.com]
--0016e64eabf4ce3f10046fdbda1c
Content-Type: text/plain; charset=ISO-8859-1
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I typically get a hard drive that is about 3X the size of my single drive
Mac OS system (for simplicity let us say that it is a 500GB drive).  In this
case, I would personally get a 1.5TB drive and the make two GUID (bootable)
partitions.  One partition (most likely the first) should be exactly the
same size as your Mac drive that is to be backed up (500GB in my example)
and the second partition should be remainder of the drive (1000GB in my
example).  I would use the first partition to make firewire bootable clone
of my Mac drive using a program such as Carbon Copy Cloner or SuperDuper!
This clone is hot backup of your system in case of hard drive failure (you
can simply boot from this firewire drive and then clone is back to a
replacement internal HD to get you system back to the exact state of the
last clone backup).  I use the second partition as the TimeMachine drive
that will make incremental backups and allow you to return to previous
states of your system (thus the reason for the larger partition allocation
to allow for restoring old states or files that may been corrupted or
deleted).

In general, I keep altogether different drives for backup and additional
data storage.  There are rather a number of online vendor that offer drives
that are perfect for such purposes such as Lacie, Other World Computing,
NewEgg, TigerDirect,.....  Much of what you ultimately decide is personal
choice and preference, but I would strongly recommend getting a drive that
has support for FW800 to make it fast enough and to make the bootable clone
practical.  For PC compatibility, I also like a drive that has an eSata
interface as well.  If you want to access a Mac HFS+ drive from Windows, I
believe that you will need something like MacDrive or a functional
equivalent.  If you just need it for disaster recovery situation only, you
could just use the demo version in such a case.

Others may have better ideas and suggestions, but that is just my 2 cents.

Cheers,

Thomas

On Wed, Jul 29, 2009 at 5:51 AM, Joseph M Leonard jleonard42],[gmail.com <
owner-chemistry^_^ccl.net> wrote:

> Folks, as I figure people reading this list connect external drives to Macs
> (and to PC's and ...), I thought I'd ask for recommendations re: a good
> backup drive for home use.  I'm looking for a 1Tb drive, which will hold
> movies, pictures, music, the normal "life" stuff one accumulates.  I would
> prefer a higher-speed interface (FW 800, for example), but higher quality
> with FW 400 would be acceptable.
>
> Strong feelings either way would be helpful, as I'd welcome things-to-avoid
> as well as things-to-consider...
>
> Thanks in advance!
>
> Joe Leonard
> jleonard42-.-gmail.com
>
> --
> The band is just fantastic, that is really what I think...  Oh, by the way,
> which one's Pink?
>
>

--0016e64eabf4ce3f10046fdbda1c
Content-Type: text/html; charset=ISO-8859-1
Content-Transfer-Encoding: quoted-printable

I typically get a hard drive that is about 3X the size of my single drive M=
ac OS system (for simplicity let us say that it is a 500GB drive).=A0 In th=
is case, I would personally get a 1.5TB drive and the make two GUID (bootab=
le) partitions.=A0 One partition (most likely the first) should be exactly =
the same size as your Mac drive that is to be backed up (500GB in my exampl=
e) and the second partition should be remainder of the drive (1000GB in my =
example).=A0 I would use the first partition to make firewire bootable clon=
e of my Mac drive using a program such as Carbon Copy Cloner or SuperDuper!=
=A0 This clone is hot backup of your system in case of hard drive failure (=
you can simply boot from this firewire drive and then clone is back to a re=
placement internal HD to get you system back to the exact state of the last=
 clone backup).=A0 I use the second partition as the TimeMachine drive that=
 will make incremental backups and allow you to return to previous states o=
f your system (thus the reason for the larger partition allocation to allow=
 for restoring old states or files that may been corrupted or deleted).<br>
<br>In general, I keep altogether different drives for backup and additiona=
l data storage.=A0 There are rather a number of online vendor that offer dr=
ives that are perfect for such purposes such as Lacie, Other World Computin=
g, NewEgg, TigerDirect,.....=A0 Much of what you ultimately decide is perso=
nal choice and preference, but I would strongly recommend getting a drive t=
hat has support for FW800 to make it fast enough and to make the bootable c=
lone practical.=A0 For PC compatibility, I also like a drive that has an eS=
ata interface as well.=A0 If you want to access a Mac HFS+ drive from Windo=
ws, I believe that you will need something like MacDrive or a functional eq=
uivalent.=A0 If you just need it for disaster recovery situation only, you =
could just use the demo version in such a case.<br>
<br>Others may have better ideas and suggestions, but that is just my 2 cen=
ts.<br><br>Cheers,<br><br>Thomas<br><br><div class=3D"gmail_quote">On Wed, =
Jul 29, 2009 at 5:51 AM, Joseph M Leonard jleonard42],[<a href=3D"http://gm=
ail.com">gmail.com</a> <span dir=3D"ltr">&lt;<a href=3D"mailto:owner-chemis=
try^_^ccl.net">owner-chemistry^_^ccl.net</a>&gt;</span> wrote:<br>
<blockquote class=3D"gmail_quote" style=3D"border-left: 1px solid rgb(204, =
204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Folks, as I figur=
e people reading this list connect external drives to Macs (and to PC&#39;s=
 and ...), I thought I&#39;d ask for recommendations re: a good backup driv=
e for home use.=A0 I&#39;m looking for a 1Tb drive, which will hold movies,=
 pictures, music, the normal &quot;life&quot; stuff one accumulates.=A0 I w=
ould prefer a higher-speed interface (FW 800, for example), but higher qual=
ity with FW 400 would be acceptable.<br>

<br>Strong feelings either way would be helpful, as I&#39;d welcome things-=
to-avoid as well as things-to-consider...<br><br>Thanks in advance!<br><br>=
Joe Leonard<br><a href=3D"mailto:jleonard42-.-gmail.com" target=3D"_blank">=
jleonard42-.-gmail.com</a><br clear=3D"all">
<font color=3D"#888888">
<br>-- <br>The band is just fantastic, that is really what I think... =A0Oh=
, by the way, which one&#39;s Pink? <br><br>
</font></blockquote></div><br>

--0016e64eabf4ce3f10046fdbda1c--


From owner-chemistry@ccl.net Wed Jul 29 15:46:01 2009
From: "Matthew Sundling matthew.sundling]=[gmail.com" <owner-chemistry(-)server.ccl.net>
To: CCL
Subject: CCL: Suggested external drive for Mac
Message-Id: <-39877-090729115626-9541-ZVPwqScAmXlHoZYl9Mq1eg(-)server.ccl.net>
X-Original-From: Matthew Sundling <matthew.sundling|-|gmail.com>
Content-Type: multipart/alternative; boundary=001517511a9c7ed2e3046fd995e5
Date: Wed, 29 Jul 2009 11:10:13 -0400
MIME-Version: 1.0


Sent to CCL by: Matthew Sundling [matthew.sundling|gmail.com]
--001517511a9c7ed2e3046fd995e5
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Joe (and CCL):

I have been using a MobileSTOR MS2UB, which is a two drive raid array which
I use to mirror two 1TB drives.  It has USB and Firewire 800 connections.
It's fast, quiet and works well with Macs, and does great for storing my
pictures, music and an archive of software code.  The redundant drive has
already come in handy once after only 5 months because of a failed drive
> from maxtor.

Thought I'd mention it.

Matt
matthew.sundling..gmail.com


On Wed, Jul 29, 2009 at 8:51 AM, Joseph M Leonard jleonard42],[gmail.com <
owner-chemistry..ccl.net> wrote:

> Folks, as I figure people reading this list connect external drives to Macs
> (and to PC's and ...), I thought I'd ask for recommendations re: a good
> backup drive for home use.  I'm looking for a 1Tb drive, which will hold
> movies, pictures, music, the normal "life" stuff one accumulates.  I would
> prefer a higher-speed interface (FW 800, for example), but higher quality
> with FW 400 would be acceptable.
>
> Strong feelings either way would be helpful, as I'd welcome things-to-avoid
> as well as things-to-consider...
>
> Thanks in advance!
>
> Joe Leonard
> jleonard42-.-gmail.com
>
> --
> The band is just fantastic, that is really what I think...  Oh, by the way,
> which one's Pink?
>
>

--001517511a9c7ed2e3046fd995e5
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Joe (and CCL):<br><br>I have been using a MobileSTOR MS2UB, which is a two =
drive raid array which I use to mirror two 1TB drives.=A0 It has USB and Fi=
rewire 800 connections.=A0 It&#39;s fast, quiet and works well with Macs, a=
nd does great for storing my pictures, music and an archive of software cod=
e.=A0 The redundant drive has already come in handy once after only 5 month=
s because of a failed drive from maxtor.<br>
<br>Thought I&#39;d mention it.<br><br>Matt<br><a href=3D"mailto:matthew.su=
ndling..gmail.com">matthew.sundling..gmail.com</a><br><br><br><div class=3D"g=
mail_quote">On Wed, Jul 29, 2009 at 8:51 AM, Joseph M Leonard jleonard42],[=
<a href=3D"http://gmail.com">gmail.com</a> <span dir=3D"ltr">&lt;<a href=3D=
"mailto:owner-chemistry..ccl.net">owner-chemistry..ccl.net</a>&gt;</span> wro=
te:<br>
<blockquote class=3D"gmail_quote" style=3D"border-left: 1px solid rgb(204, =
204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Folks, as I figur=
e people reading this list connect external drives to Macs (and to PC&#39;s=
 and ...), I thought I&#39;d ask for recommendations re: a good backup driv=
e for home use.=A0 I&#39;m looking for a 1Tb drive, which will hold movies,=
 pictures, music, the normal &quot;life&quot; stuff one accumulates.=A0 I w=
ould prefer a higher-speed interface (FW 800, for example), but higher qual=
ity with FW 400 would be acceptable.<br>

<br>Strong feelings either way would be helpful, as I&#39;d welcome things-=
to-avoid as well as things-to-consider...<br><br>Thanks in advance!<br><br>=
Joe Leonard<br><a href=3D"mailto:jleonard42-.-gmail.com" target=3D"_blank">=
jleonard42-.-gmail.com</a><br clear=3D"all">
<font color=3D"#888888">
<br>-- <br>The band is just fantastic, that is really what I think... =A0Oh=
, by the way, which one&#39;s Pink? <br><br>
</font></blockquote></div><br>

--001517511a9c7ed2e3046fd995e5--


From owner-chemistry@ccl.net Wed Jul 29 16:47:01 2009
From: "Chris Swain swain ~~ mac.com" <owner-chemistry%a%server.ccl.net>
To: CCL
Subject: CCL: Suggested external drive for Mac
Message-Id: <-39878-090729164433-11304-vuRGkFisi0kNuf9WBM6Ngg%a%server.ccl.net>
X-Original-From: Chris Swain <swain%a%mac.com>
Content-type: multipart/alternative;
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Date: Wed, 29 Jul 2009 21:43:36 +0100
MIME-version: 1.0


Sent to CCL by: Chris Swain [swain]![mac.com]

--Boundary_(ID_6yTZkefLSqfNgSytHtovBQ)
Content-type: text/plain; charset=US-ASCII; format=flowed; delsp=yes
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I spent some time looking at this for my desktop machine, I ended up  
buying an extra internal drive which was much cheaper.

This site has full details of how to install the drives.

http://www.macupgrades.co.uk/store/

Chris

http://www.macinchem.org


On 29 Jul 2009, at 13:51, Joseph M Leonard jleonard42],[gmail.com wrote:

> Folks, as I figure people reading this list connect external drives  
> to Macs (and to PC's and ...), I thought I'd ask for recommendations  
> re: a good backup drive for home use.  I'm looking for a 1Tb drive,  
> which will hold movies, pictures, music, the normal "life" stuff one  
> accumulates.  I would prefer a higher-speed interface (FW 800, for  
> example), but higher quality with FW 400 would be acceptable.
>
> Strong feelings either way would be helpful, as I'd welcome things- 
> to-avoid as well as things-to-consider...
>
> Thanks in advance!
>
> Joe Leonard
> jleonard42-.-gmail.com
>
> -- 
> The band is just fantastic, that is really what I think...  Oh, by  
> the way, which one's Pink?
>


--Boundary_(ID_6yTZkefLSqfNgSytHtovBQ)
Content-type: text/html; charset=US-ASCII
Content-transfer-encoding: quoted-printable

<html><body style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; =
-webkit-line-break: after-white-space; ">I spent some time looking at =
this for my desktop machine, I ended up buying an extra internal drive =
which was much cheaper.<div><br></div><div>This site has full details of =
how to install the drives.</div><div><br></div><div><a =
href=3D"http://www.macupgrades.co.uk/store/">http://www.macupgrades.co.uk/=
store/</a></div><div><br></div><div>Chris<br><div><div =
apple-content-edited=3D"true"><span class=3D"Apple-style-span" =
style=3D"border-collapse: separate; border-spacing: 0px 0px; color: =
rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: =
normal; font-variant: normal; font-weight: normal; letter-spacing: =
normal; line-height: normal; text-align: auto; =
-khtml-text-decorations-in-effect: none; text-indent: 0px; =
-apple-text-size-adjust: auto; text-transform: none; orphans: 2; =
white-space: normal; widows: 2; word-spacing: 0px; "><div =
style=3D"word-wrap: break-word; -khtml-nbsp-mode: space; =
-khtml-line-break: after-white-space; "><div><span =
class=3D"Apple-style-span" style=3D"font-size: =
medium;"><br></span></div><div><a =
href=3D"http://www.macinchem.org">http://www.macinchem.org</a></div><br =
class=3D"Apple-interchange-newline"></div></span> </div><br><div><div>On =
29 Jul 2009, at 13:51, Joseph M Leonard jleonard42],[gmail.com =
wrote:</div><br class=3D"Apple-interchange-newline"><blockquote =
type=3D"cite">Folks, as I figure people reading this list connect =
external drives to Macs (and to PC's and ...), I thought I'd ask for =
recommendations re: a good backup drive for home use.&nbsp; I'm looking =
for a 1Tb drive, which will hold movies, pictures, music, the normal =
"life" stuff one accumulates.&nbsp; I would prefer a higher-speed =
interface (FW 800, for example), but higher quality with FW 400 would be =
acceptable.<br> <br>Strong feelings either way would be helpful, as I'd =
welcome things-to-avoid as well as things-to-consider...<br><br>Thanks =
in advance!<br><br>Joe Leonard<br><a =
href=3D"mailto:jleonard42-.-gmail.com">jleonard42-.-gmail.com</a><br =
clear=3D"all"> <br>-- <br>The band is just fantastic, that is really =
what I think... &nbsp;Oh, by the way, which one's Pink? =
<br><br></blockquote></div><br></div></div></body></html>=

--Boundary_(ID_6yTZkefLSqfNgSytHtovBQ)--


From owner-chemistry@ccl.net Wed Jul 29 17:21:01 2009
From: "Ekram Hossain ehossain]![indiana.edu" <owner-chemistry^^^server.ccl.net>
To: CCL
Subject: CCL:G: Avogadro software
Message-Id: <-39879-090729171249-25359-JuWsSwwGTelpOfev7pSqNg^^^server.ccl.net>
X-Original-From: "Ekram  Hossain" <ehossain|-|indiana.edu>
Date: Wed, 29 Jul 2009 17:12:45 -0400


Sent to CCL by: "Ekram  Hossain" [ehossain+*+indiana.edu]
Hi,
  I am trying to use Avogadro visualization software to open .fchk file from gaussian 03. But it can not plot the orbitals, instead it keeps crashing. Is there any special keywords that I need to include in gaussian input file route section? (e.g. "IOP (6/7=3) gfinput" for molden). Thanks.

Ekram.


From owner-chemistry@ccl.net Wed Jul 29 23:43:00 2009
From: "Geoffrey Hutchison geoffh#,#pitt.edu" <owner-chemistry=server.ccl.net>
To: CCL
Subject: CCL:G: Avogadro software
Message-Id: <-39880-090729212754-25710-KFORwj1j1ucUP9+qDZm2qA=server.ccl.net>
X-Original-From: Geoffrey Hutchison <geoffh:_:pitt.edu>
Content-Transfer-Encoding: 7bit
Content-Type: text/plain; charset=US-ASCII; format=flowed; delsp=yes
Date: Wed, 29 Jul 2009 20:54:58 -0400
Mime-Version: 1.0 (Apple Message framework v935.3)


Sent to CCL by: Geoffrey Hutchison [geoffh**pitt.edu]
>  I am trying to use Avogadro visualization software to open .fchk  
> file from gaussian 03. But it can not plot the orbitals,

First off, there's no need to add a special IOp to read an .fchk file.  
Avogadro can read orbitals from any fchk file.

Avogadro has its own mailing list (avogadro-discuss _-_  
lists.sourceforge.net)
https://lists.sourceforge.net/mailman/listinfo/avogadro-discuss

We also have an open bug tracker. In this case, it would help to know  
the version of Avogadro you're using (e.g., are you using the latest)  
and ideally if you can submit the exact fchk file.
https://sourceforge.net/tracker/?group_id=165310&atid=835077

Cheers,
-Geoff

---
Prof. Geoffrey Hutchison
Assistant Professor, Department of Chemistry
University of Pittsburgh
http://hutchison.chem.pitt.edu/
Office: (412) 648-0492