[gmx-users] Restarting a gromacs calcluation

[Tsjerk Wassenaar]

Hi Luciano,

As mentioned, yes you can, that's what tpbconv is for (primarily); tpbconv -h.

Tsjerk

On 3/16/07, Triguero, Luciano O <ltriguero at miami.edu> 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: gmx-users-bounces at gromacs.org 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
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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
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