[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

-- 
==================================================

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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