[gmx-users] confusion on energy for a system of protein sovated in water

Ming Tang m21.tang at qut.edu.au
Tue Feb 23 04:03:59 CET 2016

Thanks Justin,

How about LJ and Coulomb  energy?

I want to see the trend of protein energy only. I defined 2 energy group: protein and SOL in .mdp file. Then, I saw LJ and Coulomb: protein-ptrotein option when using g_energy. Are they VDW and Coulomb force within the protein only?

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