Calculating the force needed to constrain a protein

From: Shane.OMahony (
Date: Fri Jul 18 2014 - 11:18:05 CDT

Hi all,

I was wondering if it's possible to calculate the force needed to keep a protein a fixed distance from a surface using NAMD? I want to constrain the center of mass of the protein and then calculate the PMF using an unbiased potential.



This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:22:37 CST