[gmx-users] gromacs

Alexander Law alexander.law at pg.canterbury.ac.nz
Fri Feb 13 08:39:32 CET 2015

Add: "-cpi state.cpt" to your command line. And change your .mpd file to reflect the time you want to use.
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Abid Channa [abid.channa at hotmail.com]
Sent: Friday, February 13, 2015 5:56 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Cc: gmx-users at gromacs.org
Subject: [gmx-users] gromacs

Hi gromacs users,

I am working on Sotase A complex simulation, I have done 5 ns simulation,
I want to extend simulatiom from 5 to 10 ns, is there any person tell me
extending command quickly? Thanks in advance for Justin Lemkul

Abid Ali Channa,
Junior Research Fellow,
Lab No.  P-133, Computational Chemistry Unit,
Dr .Panjwani Center for Molecular Medicine and Drug Research,
International Center for Chemical and Biological Sciences,
University of Karachi-75270.
UAN # (92-21) 111-222-292 Ext. (309)
Cell # +923013553051
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