[gmx-users] error about g_bar

Justin Lemkul jalemkul at vt.edu
Wed Aug 13 17:30:31 CEST 2014

On 8/13/14, 11:19 AM, Swapnil Kate wrote:
> hello,
> I am trying to generate free energy of solvation using g_bar gromacs tool,
> i have carried out all steps given in manual for solvation energy, but when i am trying to use g_bar command it shows 'nothing to calculate'.
> what can be the possible errors because i am not getting correct values?

You probably issued the command wrong, but since you haven't provided us with 
your exact command, there's nothing else to suggest.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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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