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From: Sindrila Dutta Banik (sindrila_at_iitk.ac.in)
Date: Mon Dec 29 2014 - 10:19:13 CST
I want to simulate a protein placed in a water box. For the same I first I
want to minimize the total system with constrained on alpha carbon atom.
But how could I mention the constrain in the input file.
As I understood form the manual the 'rigidBonds' command is used to apply
constrain a bond. But how to constrain a atom; please help me out.
With best regards
Sindrila Dutta Banik
-- Sindrila Dutta Banik C/O Prof. A. Chandra Project Scientist Department of Chemistry IIT Kanpur UP 208016