[gmx-users] RMSF problem
jalemkul at vt.edu
Thu May 11 19:28:34 CEST 2017
On 5/11/17 1:21 PM, Franco Henrique wrote:
> I am have problem with RMSF data, because after I apply this command-line: gmx rmsf -f xxx.xtc -s yyy.tpr -o zzz.xvg -res, the .xvg file has not all residues of protein. If possible, I would like to know a tip to solve this problem.
How many residues do you have, and how many did the program output? No GROMACS
program will magically get rid of anything; it will analyze what you tell it to,
so without more information about what you did, which group you chose, etc. it's
hard to suggest anything.
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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