Re: [gmx-users] electrostatics forces and van der waals forces calculation

Hi, None of them do that. The forces are not accumulated or recorded separately in the way you hope, even if you write them to the trajectory with nstfout = whatever. You can get some information by doing mdrun -rerun on your trajectory, but to do this you have to hack your rerun topology to have

[gmx-users] electrostatics forces and van der waals forces calculation

Dear GROMACS Users: Would you please let me know how to calculate/extract the electrostatic forces and van der waals forces of an ionic liquid structure in GROMACS? Which GROMACS command should I use? g_enemat? g_potential? Thanks a lot! Andy -- Gromacs Users mailing list * Please search