AMBER Archive (2004)

Subject: AMBER: sander : constraints to conserve hydrogen bonds

From: sachin patil (sachin_ppatil_at_yahoo.com)
Date: Thu Jul 22 2004 - 23:15:04 CDT

Hi,
 I am running MD simulations on a receptor-ligand
complex.And wish to conserve some of the hydrogen
bonds between the ligand and the receptor residues.
But I dont exactly know how do I achieve that.
 Any help, suggestions would be highly aprpeciated !!

Sachin Pati
------------
Dept. of Medicinal & Biological Chemistry
University of Toledo,Toledo
Ohio, 43606

                
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