From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Wed Oct 11 2006 - 18:34:21 CDT
i want to restart my simulation after minimization. i want to heat
my system in the step of 100, 200 and then 310. so do i need to leave the
"reinitvel" parameter as such or should i comment it out? do i need to set
the "reinitvel" parameter at each step or only in between minimization and
equilibration at 100 K?
Thank you for your help.
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211
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