[gmx-users] Force vs distance plot in pulling simulation?

[Erik Marklund]

16 nov 2012 kl. 22.42 skrev Justin Lemkul:

> 
> 
> 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

I don't see the point though. Except for checking implementation of the pull code.

-----------------------------------------------
Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
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erikm at xray.bmc.uu.se
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