[gmx-users] Electrostatic potential
G.N.Patargias at leeds.ac.uk
Tue May 1 17:13:22 CEST 2007
If we want to calculate the electrostatic potential of any component of a system
do we add the Coul-14, Coul-SR values that we get with g_energy?
What does each one of these terms represent exactly?
Another thing; Is there any way to define a subset of (e.g protein) atoms as an energy group
so that the .edr file will contain all the energy components for this subset too?
Thanks in advance.
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