[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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