[gmx-users] Md simulation mdp options error

Justin Lemkul jalemkul at vt.edu
Fri Apr 18 16:41:13 CEST 2014



On 4/18/14, 9:33 AM, Ankita Naithani wrote:
> Also, just one more floating query...
> In presssure coupling,
> Previously, I have been using
> tau_p = 1.0
>
> but for this simulaion, I have changed it to
> tau_p = 2.0
>
> This was after seeing the mdp file of one of your tutorials. Just wanted to
> confirm if that's okay.
>

Probably not a big deal either way.  Tutorials should never be viewed as "this 
is the only correct way to do something."

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
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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