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
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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