[gmx-users] entropy calculation

Justin Lemkul 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
> command
> 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.
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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