[gmx-users] g_wham error analysis hangs
magnus.andersson at scilifelab.se
Mon Aug 5 14:21:52 CEST 2013
> What version of Gromacs are you using? How many data points do you have in the full set?
not sure what you mean by data points, but:
dt = 0.002
nsteps = 1000000
and total number of atoms in the system: 265,891
# frames in g_wham = 30
What do you think?
> 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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