Re: CCL:add solvent molecules explictly to the system in TINKER
- From: "Jim Kress" <kresslists "-at-"
- Subject: Re: CCL:add solvent molecules explictly to the system in
- Date: Fri, 1 Mar 2002 17:07:19 -0500
"soak" takes a currently defined solute system and places it into a
box, with removal of any solvent molecules that overlap the solute
(15) Soak Current Molecule in Box of Solvent
As discussed in the Tinker User Guide.
----- Original Message -----
From: "weizhuang" <weiz "-at-" mail.rochester.edu>
To: <CHEMISTRY "-at-" ccl.net>
Sent: Friday, March 01, 2002 3:30 PM
Subject: CCL:add solvent molecules explictly to the system in TINKER
> I am studying a organic molecule with TINKER, and I want to add chloroform
> molecules around it as solvent. ( ie. put this molecule in the cell and
> in the rest space of this cell with chloroform molecules ). could anybody
> give me some suggestion?
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