From owner-chemistry@ccl.net Tue Oct  3 04:27:00 2017
From: "Yuri A sospiro9^-^gmail.com" <owner-chemistry*o*server.ccl.net>
To: CCL
Subject: CCL: Point charges
Message-Id: <-53027-171003042610-17660-78Oaq1Brrno49z4xyhxwuA*o*server.ccl.net>
X-Original-From: "Yuri  A" <sospiro9]_[gmail.com>
Date: Tue, 3 Oct 2017 04:26:08 -0400


Sent to CCL by: "Yuri  A" [sospiro9[-]gmail.com]
Sorry, I forgot to say that I am using GAMESS.

> "Yuri A sospiro9*o*gmail.com"  wrote:
> 
> Sent to CCL by: "Yuri  A" [sospiro9::gmail.com]
> Hi, I would to simulate the effect of point charges on molecules, I've 
> found some topics about this in this forum but none of them provide 
> examples. Is there an example to show me how I can insert point charges 
> using fragments or any other alternative approach?
> 
> Thank you,
> Yuri
> 
>


From owner-chemistry@ccl.net Tue Oct  3 13:01:00 2017
From: "Jim Kress jimkress35[-]gmail.com" <owner-chemistry===server.ccl.net>
To: CCL
Subject: CCL: Point charges
Message-Id: <-53028-171003123859-15345-Jz+FL1csXsHJIY5wZvskjg===server.ccl.net>
X-Original-From: "Jim Kress" <jimkress35()gmail.com>
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Date: Tue, 3 Oct 2017 12:38:47 -0400
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Sent to CCL by: "Jim Kress" [jimkress35^_^gmail.com]
Did you look in the GAMESS manual?  There is a specific method for using
point charges.

Jim

-----Original Message-----
> From: owner-chemistry+jimkress35==gmail.com.===.ccl.net
[mailto:owner-chemistry+jimkress35==gmail.com.===.ccl.net] On Behalf Of Yuri A
sospiro9^-^gmail.com
Sent: Tuesday, October 03, 2017 4:26 AM
To: Kress, Jim  <jimkress35.===.gmail.com>
Subject: CCL: Point charges


Sent to CCL by: "Yuri  A" [sospiro9[-]gmail.com] Sorry, I forgot to say that
I am using GAMESS.

> "Yuri A sospiro9*o*gmail.com"  wrote:
> 
> Sent to CCL by: "Yuri  A" [sospiro9::gmail.com] Hi, I would to 
> simulate the effect of point charges on molecules, I've found some 
> topics about this in this forum but none of them provide examples. Is 
> there an example to show me how I can insert point charges using 
> fragments or any other alternative approach?
> 
> Thank you,
> Yurihttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt