[gmx-users] electrostatic energy calculation

[Maryam Kowsar]

Dear all,

I want to calculate the electrostatic energy (coulomb SR and LR) for a set
of molecules during the whole simulation. I used g_energy -f ener.edr -o
(with or without -nmol option), but it only gives me 1 average output for
the last step.I tried g_enemat -f -etot (-emat) but it stops needing a
group.dat file. Is there a way to calculate coulomb energy in all steps
preferably for a set of desired charged molecules?
Thanks.