[gmx-users] PBC problem in bilayer system
jalemkul at vt.edu
Thu Sep 11 19:54:20 CEST 2014
On 9/11/14 1:51 PM, shahab shariati wrote:
> Dear Justin
> Very thanks for your answer.
> Unfortunately, I am beginner in MD simulation of bilayer membrane systems.
> Based on your answer (You can try the translation options of trjconv in
> conjunction with -pbc mol), should I use following command?
> trjconv –trans –pbc mol
The -trans option takes a vector where you specify the amount of translation to
apply. See trjconv -h.
> trjconv –pbc nojump
> Best wishes
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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