restraining the protein not to move during equilibration

From: Dhiraj Srivastava (
Date: Sun Oct 08 2006 - 23:30:39 CDT

Hi All
       I want to keep the position of my protein atom fixed while
equilibrating the system. for that i am planning to use following script.

* #constraints
constraints on
consref protein_only.coor
conskfile protein_cons.pdb
conskcol X *

how should i make the "consref" and "conskfile". i am thinking of setting
the occupancy of protein atoms 1 for "conskfile". is it correct? then what
should be the "consref" file.

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

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