[gmx-users] cannot open traj.xtc
jalemkul at vt.edu
Wed Nov 18 13:41:14 CET 2015
On 11/18/15 2:45 AM, surbhi mahajan wrote:
> Dear users,
> I am M.Sc student , I have been doing my simulations on lipids , I am stuck
> at the analysis part in which i want to calculate deuterium order parameter
> after I give the command:
> g_order -s md_0_1.tpr -n sn1.ndx -d z -od deuter_sn1.xvg
> I get the error cannot open file traj.xtc. please help me in solving this
You didn't specify a trajectory file name (-f argument) so g_order looks for the
default name (traj.xtc) and it doesn't exit. Specify a proper input file name.
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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