[gmx-users] g_current
Justin Lemkul
jalemkul at vt.edu
Tue Apr 15 21:02:15 CEST 2014
On 4/15/14, 2:27 PM, Nilesh Dhumal wrote:
> Here is full gmxcheck
>
> Checking file water.trr
> trn version: GMX_trn_file (single precision)
> Reading frame 0 time 0.000
> # Atoms 2592
> Last frame 100 time 20.000
>
>
> Item #frames Timestep (ps)
> Step 101 0.2
> Time 101 0.2
> Lambda 101 0.2
> Coords 101 0.2
> Velocities 0
There you have it; you didn't save velocities.
-Justin
--
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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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