constrained simulation

From: Dhiraj Srivastava (
Date: Fri Oct 27 2006 - 03:32:15 CDT

Hi all
      I want to constrain the position of my protein atoms
during equilibration and for that i need to specify the constraint reference
file. should i write the constraint reference file from the
restart.coorfile of previous simulation or should it be the original
pdb file from which
i am doing my simulation?

thanks for advice.

Dhiraj Kumar Srivastava
Department of Chemistry
University of Missouri-Columbia
MO, 65211

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:42:45 CST