[gmx-users] PBC problem in bilayer system
jalemkul at vt.edu
Sun Sep 14 15:11:01 CEST 2014
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 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
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