[gmx-users] Question about mdrun -rerun

Ian Kotthoff ipk6456 at truman.edu
Mon Jul 27 23:49:44 CEST 2015


Ok well thank you anyway. I will just need to run the whole simulation
again.
On Jul 27, 2015 5:45 PM, "Justin Lemkul" <jalemkul at vt.edu> wrote:

>
>
> On 7/27/15 5:43 PM, Ian Kotthoff wrote:
>
>> Thank you Justin,
>>
>> Is there a way that I can change the pullx calculation frequency? The
>> number of frames I have saved does not provide enough resolution for
>> results to be drawn.
>>
>>
> Nope, you can't calculate anything from frames that weren't saved.
>
> -Justin
>
> --
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
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