[gmx-users] Extracting energy from trajectory file

[Sandeep Somani]

Hi all users,

   We need to find the interaction energy between a group of atoms (that
we didn't define before
the simulation) and the rest of the protein. 
Is it possible to extract the van der Waals & coulomb energies from the
positions in trajectory file, rather than 
adding the energy group and re-running the simulation?

Thanks,
Sandeep