[gmx-users] force output from gromacs

Isabel Constantine isabel.constantine.usa at gmail.com
Mon May 25 08:01:20 CEST 2015

Dear gromacs community,

Is there a way to get the detailed force components from a simple Ewald
I am interested in the individual contribution by real space, fourier and
the intra-correction terms.
"g_traj -f traj.trr -of " merely gives me total force which is not useful
for me.
If someone can point out the details and locations of such calculations in
the code that also would be great. I could locate ewald.c, but couldnt find
the erf function and intramolecular terms.. :(

PhD Candidate,
Livingston University.

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