constrained simulation

From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Fri Oct 27 2006 - 03:32:15 CDT

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Hi all
      I want to constrain the position of my protein atoms
during equilibration and for that i need to specify the constraint reference
file. should i write the constraint reference file from the
restart.coorfile of previous simulation or should it be the original
pdb file from which
i am doing my simulation?

thanks for advice.

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

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