Re: CCL:add solvent molecules explictly to the system in TINKER



I'd try:
 SOAK Subroutine
 "soak" takes a currently defined solute system and places it into a
 solvent
 box, with removal of any solvent molecules that overlap the solute
 or:
 XYZEDIT
 (15) Soak Current Molecule in Box of Solvent
 As discussed in the Tinker User Guide.
 Jim
 ----- 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
 > Hi,guys:
 >
 > 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
 fill
 > in the rest space of this cell with chloroform molecules ). could anybody
 > give me some suggestion?
 >
 > regards
 >
 > wei
 >
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