[gmx-users] Getting non-bonded forces from GROMACS

James james at ryley.com
Tue Sep 24 04:38:23 CEST 2019


I am interested in getting only non-bonded force vectors on each atom in an
MD run. I know "gmx traj -of" (or "gmx traj -af" -- what's the difference?)
will output total forces on atoms, as will "gmx trajectory -of". But, is
there a way to only get non-bonded forces?

James Ryley

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