From: jia (jia_at_ornl.gov)
Date: Fri Nov 16 2007 - 11:26:20 CST

Dear NAMD users,

I'm trying to calculate the binding energy of two small size proteins, 140 a.a
for one and 57 for another, by using either ABF or SMD, and wondering if
anyone has done any comparison test on which method works better on systems
with comparable size. Any suggestions would be appreciated. Thanks.


Jiancong Xu, PhD
Center for Molecular Biophysics
Oak Ridge, TN, 37830

Postdoc Research fellow
Center for Molecular Biophysics,
Oak Ridge National Lab
Oak Ridge, TN, 37830

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