[gmx-users] Issue in ligand gyration analysis

Justin Lemkul jalemkul at vt.edu
Fri Aug 23 15:42:27 CEST 2013

On 8/23/13 9:38 AM, Sainitin Donakonda wrote:
> Thank justin for reply i also thought same i used gromacs 4.5.5 here so
>   just now i used gromacs 4.5.4 it works perfectly but choosing ligand only
> gives value as zero..can you tell me what might be the reason ?

No idea.  What is the ligand?



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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