Calculating the force needed to constrain a protein

From: Shane.OMahony (Shane.OMahony_at_ul.ie)
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.

Thanks,

Shane

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:21:00 CST