[gmx-users] Dividing an MD run

João Henriques joao.henriques.32353 at gmail.com
Fri Mar 4 15:12:13 CET 2016


Sorry, I haven't moved on to 5.X yet. I'm old school :)

/J

On Fri, Mar 4, 2016 at 2:34 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 3/4/16 8:32 AM, João Henriques wrote:
>
>> tpbconv is the answer for an extension. Choose between -extend or -until,
>> it's up to you. I like -until, because I'm too lazy to do subtractions :)
>>
>> http://www.gromacs.org/Documentation/How-tos/Extending_Simulations
>>
>>
> Correct, though that page is a bit out of date, as tpbconv has been
> renamed convert-tpr.
>
> -Justin
>
> --
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
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