[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

> Hello,
>  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.
>  sridhar
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