[gmx-users] intramolecular LJ and Coulomb interactions

Vitaly V. Chaban vvchaban at gmail.com
Sat Dec 5 21:29:51 CET 2009


Is there a way to output only intramolecular interaction (LJ and
Coulomb but not bond, angle, etc) energies (with a respect of
exclusions, of course). It seems LJ-(SR) and Coulomb-(SR) terms in
g_energy include all interaction, both inter- and intramolecular ones.


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