Still problems with heating

From: patrick wintrode (pat_wde2_at_yahoo.com)
Date: Sat Feb 25 2006 - 11:15:01 CST

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Hi all,

I tried heating my system using the script that was provided (see "Problem heating the system" below), but once again the velocities were reassigned directly to 310 Kelvin at the first dynamics step. I'm not sure what's going on.

Will it work if I just run a series of separate simulations, changing the Langevin Temperature slightly each time?

Thanks.

Patrick L. Wintrode
Assistant Professor
Department of Physiology & Biophysics
Case Western Reserve University

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