[gmx-users] simulation

[Shima Arasteh]

Thanks for the link.
 
Sincerely,
Shima


----- Original Message -----
From: Justin Lemkul <jalemkul at vt.edu>
To: Shima Arasteh <shima_arasteh2001 at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org>
Cc: 
Sent: Tuesday, August 14, 2012 10:25 PM
Subject: Re: [gmx-users] simulation



On 8/14/12 1:49 PM, Shima Arasteh wrote:
>
>
> Hi all,
>
> I'm simulating a system of POPC and water for 50 ns. I set the job but it interrupted in the middle of the job due to cluster problem and I got the results up to 40 ns.  Is it possible to continue it for the last 10 ns and not doing the simulation from the beginning?
>
> Please guide me. Your suggestions would be appreciated .
>

This is an issue discussed frequently on the list.

http://www.gromacs.org/Documentation/How-tos/Doing_Restarts

-Justin

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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