ABF or SMD

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

• Next message: brmorgan_at_clarku.edu: "Installing NAMD"
• Previous message: Floris Buelens: "Re: howcan I use amber forcefield in NAMD?"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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

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

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

• Next message: brmorgan_at_clarku.edu: "Installing NAMD"
• Previous message: Floris Buelens: "Re: howcan I use amber forcefield in NAMD?"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:45:33 CST