[gmx-users] How I extend command?
iitdckc at gmail.com
Tue Feb 24 06:55:03 CET 2015
use -cpi state.cpt in the mdrun command
Replace state.cpt file with the actual cpt file written by mdrun.
On Tue, Feb 24, 2015 at 10:39 AM, Abid Channa <abid.channa at hotmail.com>
> Hi gromacs users,
> I am working membrane complex simulation of 20
> ns, 100,0000 steps , my simulation is reached 40,00000 steps it stoped
> by mistakenly , How I can extend this 40 lac steps to 1 crore steps
> rather than starting , thanks in advance
> 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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Chandan Kumar Choudhury
National Chemical Laboratory, Pune
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