[AMBER] get energy of some residues of the molecule

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From: Johannes Kalliauer <johannes.kalliauer.tuwien.ac.at>
Date: Wed, 3 Oct 2018 16:13:44 +0200

Dear Amber-Users

I would like to get the energy of a part of a (long) molecule, aside of the Cartesian restrained parts of the molecule.
Is it possible to get the potential energy of some residues of the molecule?

Any help is highly appreciated.

Best Regards
Johannes Kalliauer

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Received on Wed Oct 03 2018 - 07:30:03 PDT