Re: freeEnergy of conformational change of a test molecule

From: Chris Chipot (
Date: Thu Nov 17 2005 - 11:37:07 CST

Uma, remember that the free energy is defined up to a constant:

?A(?) = -1/? ln P(?) + ?A0

Therefore, if it just a matter of translation of your profiles,
you are already in pretty good shape.


Uma Mahankali wrote:

>Identical but shifted curves...I increased the numsteps and now I dontsee this problem anymore. Seems like I didnt run it long enough.

Chris Chipot, Ph.D.
Equipe de dynamique des assemblages membranaires
Unité mixte de recherche CNRS/UHP No 7565
Université Henri Poincaré - Nancy 1 Phone: (33) 3-83-68-40-97
B.P. 239 Fax: (33) 3-83-68-43-87
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