From: Sindrila Dutta Banik (
Date: Mon Dec 29 2014 - 10:19:13 CST

Dear All,

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