[gmx-users] PBC problem in bilayer system

[Justin Lemkul]

On 9/14/14 8:58 AM, shahab shariati wrote:
> Dear Justin
>
>
>
>
> I did MD simulation on the NPT ensemble:
>
>
> pcoupl              =      Berendsen
>
> pcoupltype      =      semiisotropic
>
> ref_p                 =      1.0
>
>
>
> In this condition, to solve this problem, what should I do?
>

I have already said a few times what to do.  Try running trjconv and see what 
you get rather than waiting for email responses.  You'll accomplish more.

-Justin

-- 
==================================================

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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