From: Natalia Ostrowska (n.ostrowska_at_cent.uw.edu.pl)
Date: Mon Dec 25 2017 - 02:23:11 CST
Yes, you have to write a short script at the end of your.conf/.namd file in
tcl saying for I in like 30 increase i, make the temperature $temperature
-10 and run like 10000
So you will have i rounds of dynamics with the temperature decreasing
Find some termalisation script for code example
W dniu poniedziałek, 25 grudnia 2017 Monika Madhavi <monikamadhavi_at_gmail.com>
> Hi all,
> Is it possible to gradually decrease the temperature of the system as we
> gradually heat the system in NAMD? Any insight is appreciated.
> W.A.Monika Madhavi
> Lecturer (Probation),
> Department of Physics,
> University of Colombo.
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