[gmx-users] on editconf
jalemkul at vt.edu
Mon May 9 15:44:10 CEST 2016
On 5/9/16 9:41 AM, Brett wrote:
> Dear All,
> When I process the md based on the on-line lysozyme tutorial, in the gmx editconf step, it writes "No velocities found". Will you please tell me why it writes "No velocities found" and what its effect? How can we have the velocities input and displayed in the editconf step?
editconf reads coordinate files, which generally don't have velocities. So if
there are no input velocities, there aren't going to magically be any in the
output. The .gro format can store velocities but does not have to.
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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