Constraining two sets of atoms

From: Natnael Doilicho (
Date: Tue Sep 16 2014 - 12:06:38 CDT

Hi all,

I would like to set a high constraint on one set of atoms with a constant
constraint coefficient throughout my simulation while at the same time
setting a low constraint on a separate set of atoms (a protein backbone)
and relaxing that constraint coefficient gradually to release the protein.

How can I set these two separate constraints?


Natnael Doilicho
University of Chicago

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:22:51 CST