How to calculate free energy for conformational change

From: Lixia Jin Day (ljin12_at_asu.edu)
Date: Thu Jul 30 2009 - 16:46:07 CDT

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I have two conformations for one molecule that were derived from
simulations. How can I calculate its free energy change with NAMD? It seems
that 'alchamicalFEP' doesn't fit my case. I cannot find a tutorial online.
Please give some advises.
Thanks a lot!

Lixia

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