Hi I want to test two test potentials compared to reference potential.
I have md trajectories from reference potential. So I do mdrun -rerun with two different test potentials and get two separate trajectory files. Now I want to compute difference between forces acting on each atom in each frame due to different test potentials. Is there any way where two trajectories with same position values but different forces can be used to get third .trr file with forces which are difference of first two? thanks sikandar
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists