[gmx-users] Regarding Umbrella sampling

[Amir Zeb]

Thanks Justin,

Got it

-Amir

On Wed, Mar 8, 2017 at 7:08 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 3/8/17 8:43 PM, Amir Zeb wrote:
>
>> Thanks Justin,
>>
>> The current version I'm working on is 5.0.6, and I don't have access to
>> update this version. Can you please let me know how to get files
>> compatible
>> for this version?
>>
>>
> You'll either have to translate the appropriate options to the old syntax:
>
> http://manual.gromacs.org/archive/5.0.6/online/mdp_opt.html#pull
>
> or upgrade to a current version of GROMACS (a much better and more
> productive idea).
>
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
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