[gmx-users] total force acting on group
Mark.Abraham at anu.edu.au
Tue May 10 00:29:52 CEST 2011
On 10/05/2011 12:43 AM, rasool.fakhimi at 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.
More information about the gromacs.org_gmx-users