Hi Luciano,
As mentioned, yes you can, that's what tpbconv is for (primarily); tpbconv -h.
Tsjerk
On 3/16/07, Triguero, Luciano O <[EMAIL PROTECTED]> wrote:
Dear Users,
Thank for your help. I started a 10 ns simulation, but it dies because of an
error in the cluster PBS system,
so I want to continue the simulation from the last (r,v) point. May I still use
tpbconv to restart from that last point and continue the simulation.
Thank again,
Luciano
Dr. Luciano Triguero College of Art and Science Department of Physics and
Chemistry Cox Science Building 1301 Memorial Drive, Room 146 P.O Box 249118
Coral Gables, FL 33124-0431 Cellular: 305-904-2419 Office: 305-284-3938
________________________________
From: [EMAIL PROTECTED] on behalf of Yang Ye
Sent: Fri 3/16/2007 8:49 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Restarting a gromacs calcluation
Can you be more specific? Continue or start new simulation. Use tpbconv
to extend your simulation.
On 3/16/2007 9:37 AM, Triguero, Luciano O wrote:
> Dear users,
>
> How do I restart a gromacs simulation?
>
> Ciao,
>
> Luciano
>
> Dr. Luciano Triguero College of Art and Science Department of Physics and
Chemistry Cox Science Building 1301 Memorial Drive, Room 146 P.O Box 249118 Coral
Gables, FL 33124-0431 Cellular: 305-904-2419 Office: 305-284-3938
> _______________________________________________
> gmx-users mailing list [email protected]
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to [EMAIL PROTECTED]
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>
>
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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
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