[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
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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