[gmx-users] plot force vs time

[Justin Lemkul]

On 10/27/17 5:27 AM, abhisek Mondal wrote:
> Hi,
>
>      I'm performing an umbrella sampling simulation with a protein ligand
> system. For starter, I'm trying to pull the ligand with different rates.
>
>     How can I obtain the Force-vs-Time plot for each individual rate of
> pulling performed ?

Force on what?  The spring?  That's in the pullf.xvg file.  If you want 
forces on atoms, you have to save them in the .trr and extract with gmx 
traj -of.

-Justin

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Justin A. Lemkul, Ph.D.
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Virginia Tech Department of Biochemistry

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