[gmx-users] PBC problem in bilayer system

Justin Lemkul 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.

-Justin

> 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
http://mackerell.umaryland.edu/~jalemkul

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