[gmx-users] MD run with position restraints
gia at chem.unr.edu
Fri Sep 23 19:10:50 CEST 2005
Thanks for the web-site, there are a lot of interesting stuff there.
However, I could not find the answer on my question. MD run with position
restraints should be shorter than full run, but it is not clear for me how
short. I am going to run long 100ns MD simulation. How long should I run MD
with position restraints?
Thanks in advance,
----- Original Message -----
From: <leafyoung81-group at yahoo.com>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Thursday, September 22, 2005 6:24 PM
Subject: Re: [gmx-users] MD run with position restraints
--- Gia Maisuradze <gia at chem.unr.edu> wrote:
> I am going to run long MD simulation (100ns).
> According to manuel first I
> should run MD with position restraints and then full
> MD run without
> restraints. I was wondering how many nanosecond MD
> run with restraints I
> should perform in my case.
> Thanks in advance,
> Gia Maisuradze
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> gmx-users at gromacs.org
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