From owner-chemistry@ccl.net Wed Apr 25 05:46:01 2007 From: "Gopakumar gopakumar-#-chem.kuleuven.be" To: CCL Subject: CCL: Turbomole - AO contributions for MO Message-Id: <-34128-070425053804-11200-K8wgSODFPx0usDUPH/zwoQ:_:server.ccl.net> X-Original-From: Gopakumar Content-Type: TEXT/PLAIN; charset=US-ASCII Date: Wed, 25 Apr 2007 11:37:39 +0200 (CEST) MIME-Version: 1.0 Sent to CCL by: Gopakumar [gopakumar~!~chem.kuleuven.be] Hello, Is it possible to extract the 'contribution of the atomic orbitals for each MOs' from the turbomole output? Is there any scripts or utility which performs this and is available some where? I know that tm2molden generates the molden.input file, which contains this information, but I don't know the format they use. Any help is much appreciated. thank you very much in advance -Gopakumar __________________________________________________________ G. Gopakumar, Division of Quantum Chemistry and Physical Chemistry, Department of Chemistry, University of Leuven, Celestijnenlaan 200F, B-3001 Heverlee (Leuven), Belgium. e-mail: gopakumar{=}chem.kuleuven.be Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm From owner-chemistry@ccl.net Wed Apr 25 06:40:01 2007 From: "Luis Simon luissimonrubio[a]hotmail.com" To: CCL Subject: CCL: Stokes law and stochastic dynamics Message-Id: <-34129-070425063154-31848-LK//S3dymCmbGoThZKchsw-#-server.ccl.net> X-Original-From: "Luis Simon" Date: Wed, 25 Apr 2007 06:31:50 -0400 Sent to CCL by: "Luis Simon" [luissimonrubio{}hotmail.com] Thank you very much for the answer. I will try to be a little bit more precise. I am planning to run dynamics on an organic molecule solvated with an organic solvent. I plan to include few solvent molecules explicitelly, and if possible, instead of using periodic boundary conditions (that may be more expensive in terms of computer time), simulate the interactions of boundary solvent molecules with the "bath" using stochastic dynamics. I have found the firctional coefficient for water, but not for other organic solvents as DMSO, some of them are by no means similar to an spherical molecule. Is there any "easy" way of calculating the frictional coefficient? Does anybody know any review on this topic? Thanks again: Luis Simon. Pd-> I will summarize the answers From owner-chemistry@ccl.net Wed Apr 25 07:13:00 2007 From: "Jens Spanget-Larsen spanget:_:ruc.dk" To: CCL Subject: CCL:G: ECP for IR spectrum Message-Id: <-34130-070425063201-31916-pHDsReG8D4F4ySgQbhdLdQ---server.ccl.net> X-Original-From: Jens Spanget-Larsen Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 25 Apr 2007 12:31:40 +0200 MIME-Version: 1.0 Sent to CCL by: Jens Spanget-Larsen [spanget.:.ruc.dk] Hello Jérôme! The Iodine-compounds that I am considering are slightly more tricky. To our surprise, during an IR polarization spectroscopic investigation of the pyridine-iodine system in stretched polyethylene, we discovered the spontaneous formation of the N-iodopyridinium cation: http://www.science24.com/paper/8197 http://www.rub.ruc.dk/dis/chem/psos/2006/pyI2/pyI2.html B3LYP/DGDZVP calculations on the isolated N-iodopyridinium cation reproduce the observed mid-IR spectrum reasonably well. It is more difficult to describe the broad bands in the far-IR region, probably originating from a variety of polyiodide counter-anions. But why do these ions form so easily in a non-polar alkane medium like polyethylene? Jens >--< ------------------------------------------------------ JENS SPANGET-LARSEN Office: +45 4674 2710 Dept. of Science (18.1) Fax: +45 4674 3011 Roskilde University Mobile: +45 2320 6246 P.O.Box 260 E-Mail: spanget_+_ruc.dk DK-4000 Roskilde, Denmark http://www.ruc.dk/~spanget ------------------------------------------------------ Jérôme Kieffer jerome.kieffer###terre-adelie.org wrote: > Sent to CCL by: "=?ISO-8859-1?Q?J=E9r=F4me?= Kieffer" [jerome.kieffer##terre-adelie.org] > > Dear Jens, > > Thank you very much for your help. > >>I have performed G03 B3LYP-calculations on iodine-compounds by using the >>CEP121 basis set (for all atoms) with some success. But I prefer DGDZVP. > > I just discovered DGDZVP is the same basis set as used in DGauss (I dont > use DGauss for this as it does not include hybrid DFT: Only GGA & LDA). > >>- What kind of compounds are you considering? > > I am considering the IR vibration of a keton conjugated with a phenyl > group and the effect of the substitution of iodin on this phenyl group. > Except iodine, all atoms are from the second row, a typycal organic > product. > > Regards. > > -- > Jerome Kieffer From owner-chemistry@ccl.net Wed Apr 25 08:18:01 2007 From: "Uwe Huniar uwe.huniar^_^cosmologic.de" To: CCL Subject: CCL: Turbomole - AO contributions for MO Message-Id: <-34131-070425081550-25497-6VaKNjO+mBvtKqrvAnBakA]-[server.ccl.net> X-Original-From: Uwe Huniar Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1 Date: Wed, 25 Apr 2007 14:15:48 +0200 MIME-Version: 1.0 Sent to CCL by: Uwe Huniar [uwe.huniar*|*cosmologic.de] Hi, the molden format is described on the molden home page, see http://www.cmbi.ru.nl/molden/molden_format.html Regards, Uwe > > Is it possible to extract the 'contribution of the atomic orbitals for > each MOs' from the turbomole output? Is there any scripts or utility > which performs this and is available some where? I know that tm2molden > generates the molden.input file, which contains this information, but I > don't know the format they use. From owner-chemistry@ccl.net Wed Apr 25 09:46:01 2007 From: "Soren Eustis soren-#-jhu.edu" To: CCL Subject: CCL:G: Gaussian Job Submission Programs Message-Id: <-34132-070425090847-18507-VBVu2qo9k81j5OWJ+jl0vw~!~server.ccl.net> X-Original-From: "Soren Eustis" Content-language: en-us Content-Type: multipart/alternative; boundary="----=_NextPart_000_009B_01C78718.F90AD4F0" Date: Wed, 25 Apr 2007 09:06:12 -0400 MIME-Version: 1.0 Sent to CCL by: "Soren Eustis" [soren(0)jhu.edu] This is a multipart message in MIME format. ------=_NextPart_000_009B_01C78718.F90AD4F0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Many thanks to Gustavo Seabra for his prompt and helpful reply to my photoabsorption cross section question. I was wondering if there are any distributed programs that can be used for web/network-based Gaussian job submission/queuing. I have seen this implemented in many universities, but I have not seen any non-institution specific programs. Right now I run jobs and have the outputs constantly updated to a file server so I can monitor progress from the web, however this is a limited (passive) control. Thanks. Soren Soren N. Eustis Graduate Research Assistant Department of Chemistry Johns Hopkins University 3400 N. Charles Street Baltimore, MD 21218 (410) 516-4675 (office) (410) 925-5167 (cell) (410) 516-8420 (fax) soren(-)jhu.edu ------=_NextPart_000_009B_01C78718.F90AD4F0 Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable

Many thanks to Gustavo Seabra for his prompt and = helpful reply to my photoabsorption cross section question.  =

 

I was wondering if there are any distributed = programs that can be used for web/network-based Gaussian job submission/queuing.  = I have seen this implemented in many universities, but I have not seen any non-institution specific programs.  Right now I run jobs and have = the outputs constantly updated to a file server so I can monitor progress = > from the web, however this is a limited (passive) control.

 

Thanks.

 

Soren

 

Soren N. Eustis

Graduate Research Assistant

Department of Chemistry

Johns Hopkins University

3400 N. Charles Street

Baltimore, MD 21218

(410) 516-4675 (office)

(410) 925-5167 (cell)

(410) 516-8420 (fax)

soren(-)jhu.edu

 

------=_NextPart_000_009B_01C78718.F90AD4F0-- From owner-chemistry@ccl.net Wed Apr 25 10:46:01 2007 From: "Kaliappan Muthukumar muthukumar2k3.-$-.gmail.com" To: CCL Subject: CCL: Turbomole - AO contributions for MO Message-Id: <-34133-070425085140-10351-S2VkIE+kG5ytNCokejdRiw-$-server.ccl.net> X-Original-From: "Kaliappan Muthukumar" Content-Type: multipart/alternative; boundary="----=_Part_115104_18684337.1177502242078" Date: Wed, 25 Apr 2007 12:57:22 +0100 MIME-Version: 1.0 Sent to CCL by: "Kaliappan Muthukumar" [muthukumar2k3]_[gmail.com] ------=_Part_115104_18684337.1177502242078 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit Content-Disposition: inline Hi Gopakumar, Try moloch script available internally with Turbomole. regards, Muthukumar On 4/25/07, Gopakumar gopakumar-#-chem.kuleuven.be wrote: > > > Sent to CCL by: Gopakumar [gopakumar~!~chem.kuleuven.be] > Hello, > > Is it possible to extract the 'contribution of the atomic orbitals for > each MOs' from the turbomole output? Is there any scripts or utility > which performs this and is available some where? I know that tm2molden > generates the molden.input file, which contains this information, but I > don't know the format they use. > > Any help is much appreciated. > > thank you very much in advance > > -Gopakumar > __________________________________________________________ > G. Gopakumar, > Division of Quantum Chemistry and Physical Chemistry, > Department of Chemistry, University of Leuven, > Celestijnenlaan 200F, B-3001 Heverlee (Leuven), Belgium. > e-mail: gopakumar##chem.kuleuven.be > > > Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm> > > > -- ---------------------------------------------------------- ... UNTIL SCIENCE IS MIXED WITH EMOTION AND APPEALS TO THE HEART AND IMAGINATION , IT IS LIKE DEAD INORGANIC MATTER; AND WHEN IT IS SO MIXED AND SO TRANSFORMED IT IS LITERATURE. -- JOHN BURROUGHS With My Best Wishes, Kaliappan Muthukumar, ------------------------------------------------------------ ------=_Part_115104_18684337.1177502242078 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline Hi Gopakumar,
Try moloch script available internally with Turbomole.
regards,
Muthukumar


On 4/25/07, Gopakumar gopakumar-#-chem.kuleuven.be <owner-chemistry]![ccl.net > wrote:

Sent to CCL by: Gopakumar [gopakumar~!~chem.kuleuven.be]
Hello,

   Is it possible to extract the 'contribution of the atomic orbitals for
each MOs' from the turbomole output? Is there any scripts or utility
which performs this and is available some where? I know that tm2molden
generates the molden.input file, which contains this information, but I
don't know the format they use.

Any help is much appreciated.

thank you very much in advance

-Gopakumar
__________________________________________________________
G. Gopakumar,
Division of Quantum Chemistry and Physical Chemistry,
Department of Chemistry, University of Leuven,
Celestijnenlaan  200F, B-3001 Heverlee (Leuven), Belgium.
e-mail: gopakumar##chem.kuleuven.be


Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm



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--
----------------------------------------------------------
... UNTIL SCIENCE IS MIXED WITH EMOTION AND APPEALS TO THE HEART AND
IMAGINATION , IT IS LIKE DEAD INORGANIC MATTER; AND WHEN IT IS SO MIXED
AND SO TRANSFORMED IT IS LITERATURE.

                                  -- JOHN BURROUGHS

With My Best Wishes,
Kaliappan Muthukumar,
------------------------------------------------------------ ------=_Part_115104_18684337.1177502242078-- From owner-chemistry@ccl.net Wed Apr 25 11:29:01 2007 From: "Gert Thijs gert.thijs././.silicos.com" To: CCL Subject: CCL: how to interpret Fred docking scores Message-Id: <-34134-070425101339-4175-SjXKadwOWugm3TVqtdhirQ/./server.ccl.net> X-Original-From: Gert Thijs Content-Type: multipart/alternative; boundary=Apple-Mail-3--515903034 Date: Wed, 25 Apr 2007 15:21:16 +0200 Mime-Version: 1.0 (Apple Message framework v752.2) Sent to CCL by: Gert Thijs [gert.thijs-x-silicos.com] --Apple-Mail-3--515903034 Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed Hi, Fred has the option to use Multiple Active Site Correction when performing a docking run. MASC will scale the docking scores with respect to the scores obtained by docking your molecule in a set of references. As such the scores are much more comparable among each other. Gert On 24 Apr 2007, at 20:44, Reaz Uddin riaasuddin__yahoo.com wrote: > Hi, > > Fred scores are the energy terms, so you can interpret them as, the > more the negative value, the rank'd be the best. > > Thanks > REAZ > > "sriram boppana sri.boppana%%gmail.com" > wrote: > > Sent to CCL by: "sriram boppana" [sri.boppana#gmail.com] > Hi All > > Does any one knows to how to interpret docking results of FRED > (openeye)what is best score and what is least score. the out put > file shows in -ve valuse. > > It would be very helpful if someone could Explain. > > Thanks > Sri> http://www.ccl.net/spammers! .txt > > > > > > > REAZUDDIN > Research Scholar > Department of Medicinal Chemistry and Pharmacognosy, > College of Pharmacy, (M/C 781) > University of Illinois at Chicago > 833 S. Wood St. > Chicago, IL 60612 > Email: ruddin() uic.edu, riaasuddin() yahoo.com > Web: http://medchem.pharm.uic.edu/ > > Ahhh...imagining that irresistible "new car" smell? > Check out new cars at Yahoo! Autos. Gert Thijs Director Chemoinformatics Silicos NV. Wetenschapspark 7 B-3590 Diepenbeek Belgium Tel: +32 11 350703 Fax: +32 11 220525 http://www.silicos.com/ --Apple-Mail-3--515903034 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=ISO-8859-1 Hi,

Fred has the option to use = Multiple Active Site Correction when performing a docking run. MASC will = scale the docking scores with respect to the scores obtained by docking = your molecule in a set of references. As such the scores are much more = comparable among each other.

Gert


=

On 24 Apr 2007, at 20:44, Reaz Uddin = riaasuddin__yahoo.com wrote:

Hi,
=A0
Fred scores are the = energy terms, so you can interpret them as, the more the negative value, = the rank'd be the best.
=A0
Thanks
=
REAZ

"sriram boppana sri.boppana%%gmail.com" = <owner-chemistry() ccl.net> wrote:

Sent to CCL by: "sriram boppana" = [sri.boppana#gmail.com]
Hi All

Does any one knows to how to = interpret docking results of FRED(openeye)what is best score and what is = least score. the out put file shows in -ve valuse.

It would be = very helpful if someone could = Explain.

Thanks
Sri


http://www.ccl.ne= t/cgi-bin/ccl/send_ccl_message
http://www.ccl.net/cgi-bin/ccl/send_= ccl_message
http://www.ccl.net/chemistry/sub_unsub.shtml
http://www.= ccl.net/spammers! .txt






REAZUDDIN
Research Scholar =
Department of Medicinal Chemistry and Pharmacognosy, =
College of Pharmacy, (M/C 781)
University of = Illinois at Chicago
833 S. Wood St.
Chicago, IL 60612
Email: ruddin() uic.edu, riaasuddin() = yahoo.com
Web: http://medchem.pharm.uic.edu/

Ahhh...imagining that irresistible "new car" smell?
Check = out new cars at Yahoo! Autos.

=
Gert = Thijs

Director = Chemoinformatics
Silicos NV.
Wetenschapspark = 7
B-3590 Diepenbeek
Belgium

Tel:=A0 =A0+32 11 = 350703
Fax:=A0 +32 11 220525


 =

= --Apple-Mail-3--515903034-- From owner-chemistry@ccl.net Wed Apr 25 12:05:00 2007 From: "Carsten Wittekindt wittekindt(~)cosmologic.de" To: CCL Subject: CCL: Is there any hydrophobic group comparable with Bromine atom Message-Id: <-34135-070425112428-2093-pzYVOMTxrbtVkkD1ukl2+g{=}server.ccl.net> X-Original-From: Carsten Wittekindt Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="iso-8859-1" Date: Wed, 25 Apr 2007 16:54:50 +0200 MIME-Version: 1.0 Sent to CCL by: Carsten Wittekindt [wittekindt#%#cosmologic.de] Hi Thomas COSMOsim is able to find isosteric compounds to a given target. This method do not compare atoms or fragments but properties. The method in brief: 1) Calculation of the charge on the surface of the compounds (sigma surface) using the conductor-like screening model COSMO as implemented eg. in TURBOMOLE. 2) projection of the sigma surface into a 1D sigma profile 3) comparision of the sigma profiles between the target and a list of compounds. Regarding your question of groups similar to bromine I performed a quick search on methylbromine,1-brompropane and bromobenzene. Amoung others, I found some quite interesting grups which might replace bromine, like: isothiocyanat, isocyanat cumulated dienes terminal alkines, methylchlorosilane (not a good idea for aquaus phase) The lipophilicity can be predicted by COSMOtherm by calculating the partition coefficient between water and 1-octanol. If you want to know more about the methods you are welcome to visit our webpage: www.cosmologic.de All the best Carsten > Sent to CCL by: "Thomas Joseph" [alabarae]-[yahoo.com] > is there any hydrophobic group comparable with Bromine atom. > Is there any website, which gives you the details and order of hydrophilic > and hydrophobic atoms/groups -- Dr. Carsten Wittekindt COSMOlogic GmbH & Co. KG Phone +49-2171-363667 Burscheider Str. 515 Fax +49-2171-73168-9 D-51381 Leverkusen Email wittekindt|cosmologic.de Germany Web http://www.cosmologic.de From owner-chemistry@ccl.net Wed Apr 25 13:23:01 2007 From: "Paul Hawkins phawkins..eyesopen.com" To: CCL Subject: CCL: how to interpret Fred docking scores Message-Id: <-34136-070425132112-28083-K03XzD2/GkJ5H38QI/cy0g===server.ccl.net> X-Original-From: Paul Hawkins Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 25 Apr 2007 10:26:32 -0600 MIME-Version: 1.0 Sent to CCL by: Paul Hawkins [phawkins#%#eyesopen.com] Sri, As with all scoring functions in docking, which are (pseudo-) energy based, more negative scores are better (indicating a better binding energy). The meaning and terms of the various scoring functions in FRED 2.2 can be found in the manual, in Chapter 4.3, page 11. If you are using an earlier version of FRED we recommend that you request a new academic license and download and install the new version. Paul. Paul Hawkins Senior Applications Scientist OpenEye Scientific Software Gert Thijs gert.thijs. a .silicos.com wrote: > Hi, > > Fred has the option to use Multiple Active Site Correction when > performing a docking run. MASC will scale the docking scores with > respect to the scores obtained by docking your molecule in a set of > references. As such the scores are much more comparable among each other. > > Gert > > > > On 24 Apr 2007, at 20:44, Reaz Uddin riaasuddin__yahoo.com wrote: > >> Hi, >> >> Fred scores are the energy terms, so you can interpret them as, the >> more the negative value, the rank'd be the best. >> >> Thanks >> REAZ >> >> */"sriram boppana sri.boppana%%gmail.com" > ccl.net>/* wrote: >> >> >> Sent to CCL by: "sriram boppana" [sri.boppana#gmail.com] >> Hi All >> >> Does any one knows to how to interpret docking results of >> FRED(openeye)what is best score and what is least score. the out >> put file shows in -ve valuse. >> >> It would be very helpful if someone could Explain. >> >> Thanks >> Sri>> http://www.ccl.net/spammers! .txt >> >> >> >> >> >> >> REAZUDDIN >> Research Scholar >> Department of Medicinal Chemistry and Pharmacognosy, >> College of Pharmacy, (M/C 781) >> University of Illinois at Chicago >> 833 S. Wood St. >> Chicago, IL 60612 >> Email: ruddin() uic.edu, riaasuddin() yahoo.com >> Web: http://medchem.pharm.uic.edu/ >> >> ------------------------------------------------------------------------ >> Ahhh...imagining that irresistible "new car" smell? >> Check out new cars at Yahoo! Autos. >> > > Gert Thijs > > Director Chemoinformatics > Silicos NV. > Wetenschapspark 7 > B-3590 Diepenbeek > Belgium > > Tel: +32 11 350703 > Fax: +32 11 220525 > > http://www.silicos.com/ > > From owner-chemistry@ccl.net Wed Apr 25 14:47:01 2007 From: "Serge Gorelsky gorelsky^gmail.com" To: CCL Subject: CCL: Turbomole - AO contributions for MO Message-Id: <-34137-070425091012-18952-Rx7y7KsDN6qI5fqickdB6A===server.ccl.net> X-Original-From: "Serge Gorelsky" Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=UTF-8; format=flowed Date: Wed, 25 Apr 2007 08:05:55 -0400 MIME-Version: 1.0 Sent to CCL by: "Serge Gorelsky" [gorelsky*_*gmail.com] Hello, you can achive this task by using the AOMix package (http://www.sg-chem.net) regards, Serge Gorelsky On 4/25/07, Gopakumar gopakumar-#-chem.kuleuven.be wrote: > > Sent to CCL by: Gopakumar [gopakumar~!~chem.kuleuven.be] > Hello, > > Is it possible to extract the 'contribution of the atomic orbitals for > each MOs' from the turbomole output? Is there any scripts or utility > which performs this and is available some where? I know that tm2molden > generates the molden.input file, which contains this information, but I > don't know the format they use. > > Any help is much appreciated. > > thank you very much in advance > > -Gopakumar > __________________________________________________________ > G. Gopakumar, > Division of Quantum Chemistry and Physical Chemistry, > Department of Chemistry, University of Leuven, > Celestijnenlaan 200F, B-3001 Heverlee (Leuven), Belgium. > e-mail: gopakumar##chem.kuleuven.be > > > Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm> > > > -- Best regards, Serge Gorelsky From owner-chemistry@ccl.net Wed Apr 25 16:33:01 2007 From: "kkirschn.:.hamilton.edu" To: CCL Subject: CCL: running g3 or cbs jobs at fixed geometry Message-Id: <-34138-070425162928-19282-dUrFERp/aEfNhmUYT4fk1g,+,server.ccl.net> X-Original-From: kkirschn^_^hamilton.edu Content-transfer-encoding: 7BIT Content-type: text/plain; charset=US-ASCII; delsp=yes; format=flowed Date: Wed, 25 Apr 2007 15:28:40 -0400 MIME-version: 1.0 Sent to CCL by: kkirschn^hamilton.edu Hi Igor, I would suggest some caution concerning the use of G3 or CBS methods without the initial optimization of the geometry. In these multilevel methods the initial geometry optimization is performed for the purpose of the next step, which is a frequency calculation at the same level of theory (to obtain thermodynamic corrections). Without the optimization, the frequency calculation will be done on a structure that was not optimized for that level of theory. Besides the original papers for these methods, Chris Cramer's book, Essentials of Computational Chemistry - Theories and Models, has a nice summery of G3. Also, there is a summery in the introduction of J. Phys. Chem. A 2001, 105, 10483 (and J. Chem. Phys. 2001, 114, 4595) for G3, CBS-QB3, and CBS-APNO, with references therein. Cheers, Karl kkirschn*hamilton.edu On 22.04.2007, at 18:29, igor novak inovak ~~ csu.edu.au wrote: > > Sent to CCL by: "igor novak" [inovak_+_csu.edu.au] > Hi netters, > does somebody know how to run a G3 or CBS type calculation without > the first step which automatically optimizes the input geometry > i.e. to run a G3 type calculation for a given, fixed geometry? > Does somebody have complete sequence of steps? > Thanks & regards > I.Novak