[gmx-users] Possible trjconv malfunction?

Justin Lemkul jalemkul at vt.edu
Thu Jun 26 16:30:04 CEST 2014

On 6/26/14, 10:25 AM, Nathan Scott wrote:
> Justin,
> I actually must have mistyped that, the command below also fails with the
> same error.
> echo 0|trjconv_mpi -f stn_wt_a_fit_1.xtc -s stn_wt_a_1.tpr -b 20002  -e
> 20002 -o g96/stn_wt_a_1_0.g96 -novel
> I will explore -dump though, thanks for the suggestion!

There have been various problems reported over the years with setting -b and -e 
to the same value.  It's not a robust approach.  Using -dump should work.



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


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