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

Diogo Martins de Sá sadiogo at mol.bio.br
Mon May 25 18:49:03 CEST 2015

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.


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