[gmx-users] concatenate of .edr files
dinadusti at yahoo.com
Sat Jan 19 15:39:23 CET 2013
Thank you very much from your help.
----- Original Message -----
From: Justin Lemkul <jalemkul at vt.edu>
To: dina dusti <dinadusti at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Saturday, January 19, 2013 3:16 PM
Subject: Re: [gmx-users] concatenate of .edr files
On 1/19/13 5:48 AM, dina dusti wrote:
> Dear GROMACS Users,
> I have simulations with 1200000 ps and the file names are md.*, then I expended the time of simulation to 2400000 ps, with file names next as are follow:
> tpbconv -s md.tpr -extend 1200000 -o next.tpr
> mdrun -v -deffnm next -s next.tpr -cpi md.cpt
> I use from trjcat to concatenate md.trr and next.trr but I don't know that how should I concatenate the md.edr to next.edr!
> May I ask you to help me, Please?
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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