[gmx-users] Compute average forces along a trajectory

Simone Orioli simone.orioli at unitn.it
Mon Apr 2 15:54:15 CEST 2018

Dear all,
I have a short simulation in implicit solvent and I want to compute the
average force acting on the molecule at each frame. I tried to run the

g_traj -f traj.trr -s traj.tpr -cf -af force.xvg

but I get the following error:

No frames found for average force, will not write force.pdb.

The .trr and .tpr files are provided as output of the md simulation. What
am I doing wrong? Thanks.

Simone Orioli
PhD Student in Statistical Mechanics of Biomolecules

Dipartimento di Fisica
Universita' degli Studi di Trento
Via Sommarive 14, Povo (Trento)
38123, Italia

Phone: +39 333 8116141

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