Nevermind, I made one using VMD, it solvated my protien just fine.
- Original Message -
From: WILLIAM R WELCH [EMAIL PROTECTED]
Date: Friday, February 2, 2007 3:25 pm
Subject: [gmx-users] genbox using TIP3P?
To: Discussion list for GROMACS users gmx-users@gromacs.org
Hello
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?
Will
- Original Message -
From: [EMAIL PROTECTED]
Date: Friday, February 2, 2007 11:46 am
Subject: [gmx-users] fitting procedure in g_rmsf
To: gmx-users@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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