[gmx-users] entropy calculation
jalemkul at vt.edu
Wed Jul 17 13:56:09 CEST 2013
On 7/17/13 7:42 AM, pooja_gupta at nccs.res.in wrote:
> thanks for reply
> i am using Gromacs 4.5.5 version
> g_anaeig -v *.trr -entropy -s *.tpr -extr -f *.pdb -rmsf -3d -comp
What was the g_covar command used to generate the eigenvector .trr file? What
group did you choose for analysis during g_covar?
Justin A. Lemkul, Ph.D.
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