[gmx-users] Is it possible to output the force/energy associated with each position restraint?
winsos2008 at gmail.com
Thu Feb 20 01:40:07 CET 2014
Say I have five atoms that have position restraints in a system. I understand
that I can output the total energy associated with all position restraints
using g_energy. But is there a way to output energy (0.5*k*dx^2) or force
(k*dx) that is associated with each of these five position restraints.
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