jalemkul at vt.edu
Sun Sep 20 22:23:59 CEST 2015
On 9/20/15 4:18 PM, elham tazikeh wrote:
> Dear Thomas
> i really apprciate for your advice
> trjconv -dt NEW_TIME_STEP_IN_ps.
> you mean place my new time and my new steps of simulation instead of for
> example 15000000 steps
> please clarify your mean
> how i can resolve my problem for changing my steps from 15milion steps
> (5000frame) to 500 frame
> please write compelete command sentence by trjconv
If you want 10x fewer frames, then it's easier to use trjconv -skip 10.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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