[gmx-users] why does trjconv need a tpr file
Justin Lemkul
jalemkul at vt.edu
Wed Jan 22 22:38:25 CET 2014
On 1/22/14, 4:33 PM, Rafael I. Silverman y de la Vega wrote:
> Why does trjconve need a tpr file for -pbc options?
It is the only file that contains the type of PBC treatment for the run.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
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
==================================================
More information about the gromacs.org_gmx-users
mailing list