[gmx-users] the energy of the individual molecule

dgfd dgdfg roinato at mail.ru
Tue Feb 13 17:48:30 CET 2018

Suppose the trajectory of molecular system with interactions between all molecules. How is to obtain the time dependence of intramolecular energy of the given molecule with unique resname and the total energy of this molecule in the system including intermolecular interactions?

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