[gmx-users] Interaction energy between helices
jalemkul at vt.edu
Fri Jul 11 00:48:09 CEST 2014
On 7/10/14, 3:02 PM, Natalia Alveal F. wrote:
> Dear Justin,
> i do that you tell me, and when i do mdrun -rerun -deffnm new.tpr, there is
> a error, because
> Can not open file:
You need to pass a valid file name to the -rerun flag, i.e. the trajectory that
already exists for which you wish to recalculate energies. The command above
would not have produced that error; please always be sure you're providing
copied and pasted commands rather than retyping what you think you did from memory.
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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