[gmx-users] pmf_calculation

Justin A. Lemkul jalemkul at vt.edu
Tue Jul 5 14:07:58 CEST 2011

shahid nayeem wrote:
> Dear Justin
> Here is my histogram file which does not show any window overlap. The 
> sampling window I choose was 0.2 nm which I think is very large. Please 
> suggest.

The attached file contains a PMF profile, not histograms.  That's in histo.xvg; 
not what you're calling "hist.xvg."  Load it into xmgrace with:

xmgrace -nxy histo.xvg



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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