[gmx-users] gromacs

Abid Channa abid.channa at hotmail.com
Fri Feb 13 10:52:56 CET 2015


Thanks Alexander Law for your suggestion 

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.
Karachi-Pakistan.
UAN # (92-21) 111-222-292 Ext. (309)
Cell # +923013553051


> Date: Fri, 13 Feb 2015 05:00:19 +0000
> From: alexander.law at pg.canterbury.ac.nz
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] gromacs
> 
> 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.
> Karachi-Pakistan.
> UAN # (92-21) 111-222-292 Ext. (309)
> Cell # +923013553051
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