From: Dhiraj Srivastava (dhirajks_at_gmail.com)
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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