[gmx-users] How to calculate free energy for each residue in protein?

Mark Abraham Mark.Abraham at anu.edu.au
Tue Mar 21 14:35:59 CET 2006

lx wrote:
> Can you kindly give me some advice.

You can't calculate a meaningful free energy. You can calculate a free
energy difference between two states. I think you need to think more
about what you are trying to do, and read relevant literature.


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