[gmx-users] Force vs distance plot in pulling simulation?
jalemkul at vt.edu
Fri Nov 16 22:42:20 CET 2012
On 11/16/12 10:45 AM, Gmx QA wrote:
> Hello gmx-users,
> I've performed a pulling simulation and obtained a force-vs-time plot and a
> distance-vs-time plot (xvg-files).
> Is it common to somehow combine these to get a force-vs-distance-plot using
> a hacked-together script, or how do people that have experience with
> pulling generally make such a plot? I have read a bunch of papers where
> such figures are presented, but there does not seem to be any built-in way
> in gromacs to make them. I could be wrong, of course.
The only solution is to write a simple script that parses out the columns you want.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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