[gmx-users] snapshot
Justin Lemkul
jalemkul at vt.edu
Mon Jul 15 03:06:35 CEST 2013
On 7/14/13 9:03 PM, Rama wrote:
> Hi,
>
> How to get a snapshots in equal intervals of time (250ps) from production MD
> trajectory. I'm using -sep , -t0, -timestep but output came only one .gro
> file.
>
trjconv -skip -sep should work, but without exact command lines and the output
you received (as well as the output of gmxcheck on the trajectory), it's hard to
be more specific. The -t0 and -timestep options will have no effect except to
modify the trajectory - read the information in -h carefully!
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Associate
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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