[gmx-users] trjcat

Ullmann, Thomas thomas.ullmann at mpibpc.mpg.de
Sun Sep 20 17:40:50 CEST 2015


Hi Elham,

use trjconv -dt NEW_TIME_STEP_IN_ps.

Happy simulating,
Thomas.

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R. Thomas Ullmann, PhD
Theoretical & Computational Biophysics
Max Planck Institute for Biophysical Chemistry
Am Fassberg 11
37077 Göttingen, Germany
thomas.ullmann at mpibpc.mpg.de
www.bisb.uni-bayreuth.de/People/ullmannt
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________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of elham tazikeh [elham.tazikeh at gmail.com]
Sent: Sunday, September 20, 2015 9:00 AM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] trjcat

Dear GMX users
i ve simulated a system with 15000000 steps in md.mdp file and every 3000
steps save the coordinations, thus we have 5000 frames
i know i should use *trjcat* for reduce my frames, but i dont know how?
for instance for reduction to 500 frames,
please guide me about that
regards
--
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