[gmx-users] multicomponent system- units
katesedate at gmail.com
Fri Apr 8 04:18:04 CEST 2011
I have encountered a simple problem. For a homogenous system what g_energy
reports is dependent on the system size and one needs to use -nmol option to
divide energies by number of molecules to obtain per mol values.
I am attempting to extract interaction energies between species in a three
component system. I am puzzled how this can be achieved for such a system.
Say there are 100 solvent, 20 solute A and 10 B molecules.
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