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