[gmx-users] Problem with gromacs in Cluster

[Dr. Vitaly Chaban]

The salvation is to use:

mdrun -cpi state.cpt


Dr. Vitaly Chaban




On Thu, Apr 25, 2013 at 2:37 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
>> Can any body tell me  how do it split script i such  that i will get all
>> 20ns simulation
>>
>>
> You specified a given time limit for the job, and the run exceeded it.
>  Either specify more run time (if allowed) or run your job in shorter
> intervals that will finish within the maximum time limit.
>
> -Justin
>
> --
> ==============================**==========
>
> 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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
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