[gmx-users] Interaction energy of system as a function of the interface area
maryam6890 at gmail.com
Sun Feb 23 10:08:54 CET 2014
My system consists of protein and CNT. I know I can calculate
Interaction energy and interface area using g_energy and g_sas tools,
I want to obtain Interaction energy of my system as a function of the
interface area between the protein and CNT.
How to do this?
Any help will highly appreciated.
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