[gmx-users] Gromacs-5.1.2 Checkpoint/restart example

Husen R hus3nr at gmail.com
Sun Apr 24 14:57:59 CEST 2016


Hi,

Thanks a lot !
I'll try it,..

Regards,


Husen

On Sun, Apr 24, 2016 at 6:54 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 4/24/16 12:04 AM, Husen R wrote:
>
>> Dear all,
>>
>> is there any complete documentation discussing checkpoint/restart in
>> Gromacs-5.1.2 ?
>> I found this link that discuss checkpoint (
>> http://www.gromacs.org/Documentation/How-tos/Extending_Simulations) and
>> this link that discuss restart (
>> http://www.gromacs.org/Documentation/How-tos/Doing_Restarts) but these
>> are
>> not specifically for gromacs 5.1.2.
>>
>>
> There are no differences for 5.1.2, so that information is all relevant.
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
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> University of Maryland, Baltimore
> 20 Penn St.
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>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
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