##rerun file parameters units real boundary p p p molecule twomols tra.txt pyr.txt offset 2 2 0 0 0 atom_style template twomols pair_style lj/cut 11.0 pair_modify shift yes neighbor 2.0 bin neigh_modify delay 0 every 10 check yes bond_style harmonic improper_style harmonic read_data cg_slab_start2.lmpdata include cocrystal.params rerun am_mapping_slab2.lammpstrj dump x y z wrapped no scaled no box yes format native #include cocrystal.params compute myForces all property/atom fx fy fz # Output the new forces to a file dump 1 all custom 1 new_forces.lammpstrj id c_myForces[1] c_myForces[2] c_myForces[3] dump_modify 1 sort id # Run the rerun run 0