From: Bernardo Sosa Padilla Araujo (bernardospa_at_gmail.com)
Date: Thu Oct 01 2009 - 11:51:10 CDT
Hi all,
I am trying to heat up a system using this loop:
for { set TEMP 100 } { $TEMP <= 300 } { incr TEMP 10 } {
reassignTemp $TEMP
run 2500 ;
}
In which, from my understanding, the temperature should go from 100 to 300
K.
After running the simulation I get the temperature going from 100 to 150 and
staying there until the end of the simulation.
Does anyone know other way to do it?
Moreover I am not sure how the temperature is held constant when you use
"reassignTemp". Could I use Langevin together with the reassignTemp?
Thanks a lot in advance,
Bernardo
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