[gmx-users] a question on rerun MD after computer crash

[Justin Lemkul]

On 2/6/13 2:40 AM, Acoot Brett wrote:
> Dear All,
>
> For the MD extension purpose by "mdrun -s OUT_PUT.tpr -cpi md-0-1_prev.cpt" as discussed in the following e-mail, will you please tell me the difference between md-0-1_prev.cpt and md-0-1.cpt?
>
> I want to know the difference enven  minor.
>
> I am looking forward to getting your reply.
>

Please read the following, particularly the last line in this section:

http://www.gromacs.org/Documentation/How-tos/Doing_Restarts#Version_4.x

You can always find out exactly what's in a file using gmxcheck.

-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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