[gmx-users] Restarting a gromacs calcluation

[Triguero, Luciano O]

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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