equilibration at three different temperature

From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Tue Oct 10 2006 - 18:00:52 CDT

Hi All
        i want to equilibrate my system at 300 K but i want to reach that
temperature at three different temperature. I want to first equilibrate my
system at 100 K then at 200 K and finally at 300 K. I am running my
simulation in NVT ensemble. How Can i do that?
I am planning to simply change the LangevinTemp to my desired temperature
before restarting the simulation. do i need to rescale my velocity also or
only setting langevin temp to desired value is enough?

Thank you

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

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