[gmx-users] plot force vs time

Justin Lemkul jalemkul at vt.edu
Fri Oct 27 16:34:45 CEST 2017

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 A. Lemkul, Ph.D.
Assistant Professor
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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