GROMACS modification: No
Hi all ,
I am using gmx traj to get all the forces on the index atom with the following command
gmx traj -s %s_md.tpr -f %s_md.xtc -n probe.ndx -of %s_probeF.xvg
How can I get the all the force within a certain distance cutoff from my index atom?
For example instead of forces due to all the atoms in the box, I want forces within 10 angstrom of my index atom.
Thanks in advance.