[gmx-users] cannot open traj.xtc
mahajan.surbhiii at gmail.com
Fri Nov 20 08:10:18 CET 2015
After using g_order -s md_0_1.tpr -f md_0_1.tpr.trr -n sn1.ndx -d z -od
the file order.xvg is created but still my file does not give any
information about the system whether it is in gel phase or liquid phase.
Please suggest me where i am going wrong.
Thanks in advance.
On Wed, Nov 18, 2015 at 6:11 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 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
>> at the analysis part in which i want to calculate deuterium order
>> 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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