[gmx-users] Umbrella Sampling

Justin A. Lemkul jalemkul at vt.edu
Mon Apr 4 14:01:35 CEST 2011

 From g_wham -h:

"The tpr and pullx files must be in corresponding order, i.e. the first tpr 
created the first pullx, etc."


Gavin Melaugh wrote:
> Hi
> I assume that the order of the file names in the tpr-files.dat and
> pullx-files.dat is irrelevant for g_wham .
> Cheers
> Gavin


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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