Gentle heating in QM/MM MD

Dawid das add... at googlemail.com
Fri Jun 15 17:10:20 UTC 2018


Dear CP2K Users,

Is it possible to do heating in my QM/MM MD simulations so that starting 
from 0K I will go to let's say 
300 K in, for instance, 3 ps? Let's say the heating should be approximately 
linear. Can I do it somehow?

Best wishes,
Dawid Grabarek
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