[gmx-users] genbox using TIP3P?
WILLIAM R WELCH
wwelch at wisc.edu
Fri Feb 2 22:20:50 CET 2007
I would like to use the TIP3P model in my calculation, and I would like to be able to use genbox to solvate a pepetide, but there is no TIP3P.gro coordinate file in the program. I there such a coordinate file available?
----- Original Message -----
From: sridhar at cdfd.org.in
Date: Friday, February 2, 2007 11:46 am
Subject: [gmx-users] fitting procedure in g_rmsf
To: gmx-users at gromacs.org
> I have a rather basic query.
> I want to know which atoms of the reference structure will be used for
> fitting , in g_rmsf program.
> In the program g_rms there are separate options for fitting and
> calcualation of rmsd. I wonder if it is possible for the user to
> select a
> set of atoms for fitting and calculate the rmsf over another range of
> atoms or the whole protein, similar as in g_rms program.
> Waiting for your suggessions.
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