[gmx-users] Continuation of finished job
gia at chem.unr.edu
Thu Jun 16 23:17:42 CEST 2005
Thanks again. I am running MD for 10ns. I have renamed .trr , .xtc and other
output files for this run. I believe that when MD simulation will be done,
these new output files will contain the information of all entire 20ns
(10ns+10ns) simulation. Is it correct?
----- Original Message -----
From: "David" <spoel at xray.bmc.uu.se>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Thursday, June 16, 2005 1:30 PM
Subject: Re: [gmx-users] Continuation of finished job
> On Thu, 2005-06-16 at 12:41 -0700, Gia Maisuradze wrote:
>> Thanks for your reply. I have used tpbconv for creation of run input file
>> .tpr. So now I just need to run full MD simulation (no MD run with
>> restraints). Am I correct?
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596, 75124 Uppsala, Sweden
> phone: 46 18 471 4205 fax: 46 18 511 755
> spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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