[gmx-users] how to calculated potential energy ?

milad bagheri milad9bagheri at gmail.com
Tue Jan 1 13:47:17 CET 2019


Dear researcher
I want to measure the following parameters for a part of a protein

Intramolecular potential energy

protein surface potential

Ebond, bond length potential energy contribution

Eangle, bond angle potential energy contribution

Etorsion, torsion angle potential energy contribution

Eelectro, electrostatic potential energy contribution

EvdW, Van der Waals potential energy contribution
How to do this with gromacs?


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