RE: Can I do protein-ligand docking using NAMD?

From: JC Gumbart (
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: [] On Behalf Of Bo Liu
Sent: Wednesday, February 16, 2011 12:31 AM
To: 李佳键
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 <> 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

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:39 CST