On 10/05/2011 12:43 AM, rasool.fakh...@ut.ac.ir wrote:
Hi dear user's
I want to calculate total force acting on one certain atom or group.
gromacs dose not have tools for force analysis, and FDA only give pair
forces between one group of atoms
how can i do this?
nstfout = xx in your .mdp file writes the MD forces to the .trr file.
g_traj will then dump them to a text file.
Mark
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