From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Wed Feb 16 2011 - 01:08:36 CST
Situs is for fitting to EM maps, but NAMD also cannot do protein-ligand docking. The first program that comes to my mind is Autodock.
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf Of Bo Liu
Sent: Wednesday, February 16, 2011 12:31 AM
To: 李佳键
Cc: namd-l_at_ks.uiuc.edu
Subject: Re: namd-l: Can I do protein-ligand docking using NAMD?
NAMD cannot do docking; I let situs do docking for NAMD.
On Tue, Feb 15, 2011 at 11:32 PM, 李佳键 <dllizhongwei_at_gmail.com> wrote:
Dear All:
Is there anyone who knows how to use NAMD to do docking? Your advice will be greatly appreciated!
-- ======================================== Bo Liu Theoretical and Computational Biophysics Group 3027 Beckman Institute University of Illinois at Urbana-Champaign 405 N. Mathews Urbana, IL 61801 http://www.ks.uiuc.edu/~boliu ========================================
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