[gmx-users] short-range eletrostatic energy of every aminoacid

[Diogo Martins de Sá]

Hello guys,

I'd like to do make an energy matrix of every aminoacid of a simulation
of two interacting proteins. I know enemat can assess the matrix, but
for this I have to define energygroups in .mdp files. What would be the
easiest way to achieve this?


Thanks in advance.

Regards,
Diogo