[gmx-users] Energy via residue

Hi all, How do i obtain the protein van der waals and electrostatic energies with bilayer via residue? highly appreciate!! Afsaneh -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at

Re: [gmx-users] Energy via residue

afsaneh maleki wrote: Hi all, How do i obtain the protein van der waals and electrostatic energies with bilayer via residue? Set the appropriate energygrps in the .mdp file and use mdrun -rerun. Note that if you specify lots of groups you will have that number, squared, written to