Re: [gmx-users] Energy per residue

afsaneh maleki wrote: Dear Justin, I want to get energy per residue not time. if i use mdrun -rerun with energygrps in md.mdp then g_energy i obtain enery per time not residue. at last, i don't understand how to get Energy per residue . As I said before, as an absolute, "energy per

Re: [gmx-users] Energy per residue

Dear Justin, I want to get energy per residue not time. if i use mdrun -rerun with energygrps in md.mdp then g_energy i obtain enery per time not residue. at last, i don't understand how to get Energy per residue . Best wishes, Afsaneh > afsaneh maleki wrote: > >> Dear gromacs users, >

Re: [gmx-users] Energy per residue

afsaneh maleki wrote: Dear gromacs users, Is there a way to get energy values (Vdw,..) per residue at the end of MD prosses? Yes and no. You won't be able to get, for instance, the absolute van der Waals energy of a residue. That doesn't really make any sense, since vdW interactions

[gmx-users] Energy per residue

Dear gromacs users, Is there a way to get energy values (Vdw,..) per residue at the end of MD prosses? I would really appreciate any help. Afsaneh -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.grom