[gmx-users] Visualization output of gmx bar: histogram.xvg
jalemkul at vt.edu
Wed Sep 20 14:09:37 CEST 2017
On 9/20/17 3:27 AM, Hermann, Johannes wrote:
> Dear all, (dear Justin,)
> I want to visualize the histogram.xvg output of gmx bar. As Justin
> noted in his tutorial, you cannot see anything meaningful, if you
> simply load it with xmgrace. Can anyone tell me how the data in
> histogram.xvg is structure (I was not able to figure it out..). E.g.
> do I have to plot the first have, if I want to visualize
> N(dh/d\lambda) and the second half for N(\Delta H)? Or does anyone
> (Justin?) have a ready-to-run plot script?
I do have a script for this. Please email me off-list and I can send it
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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