[gmx-users] free energy of mutated protein

Raag Saluja saluja.raag at gmail.com
Tue Oct 20 15:38:14 CEST 2015


I wanted to see the effect of mutations on a protein. So I mutated the
protein using chimera and then calculated the potential energy and all
using Gromacs.

Is there a command, after the energy equilibration step, that I can use to
find the free energy?


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