[gmx-users] Interaction energy between helices
Natalia Alveal F.
nalveal at bio.puc.cl
Fri Jul 11 19:49:31 CEST 2014
Thanks a lot Justin for your time.
2014-07-10 18:46 GMT-04:00 Justin Lemkul <jalemkul at vt.edu>:
> 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
>> 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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Natalia Alveal Fuentealba
Ingeniera en Bioinformática
Laboratory of Membranes Proteins Structure and Signalling
Departamento de Fisiología
Pontificia Universidad Católica de Chile
Alameda 340, Santiago, Chile
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