VMD-L Mailing List

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Fri Nov 20 2009 - 05:12:35 CST

Hi:

In order to water solvate a cg protein (cg pdb abd psf available) with
VMD1.8.7 I am following Anton's advice to solvate with gc water
instead of cg an "all-atom protein water system", using the files that
Anton has put on the web:

cgsolvate.tcl
cgwat.pdb
cgwat.psf

I tried to use cgsolvate.tcl in place of solvate.tcl. If cgsolvate.tcl
is added to

/usr/local/lib/vmd/plugins/noarch/tcl/solvate1.3

it is not seen by the command

package require ...

Then I put cgsolvate.tcl in my working directory. Command

source cgsolvate.tcl

reported

conflicting versions provided for package "solvate": 1.3, then 1.2.

I would appreciate very much instructions. Thanks

francesco pietra