Gentle heating in QM/MM MD

[Matt W]

https://manual.cp2k.org/cp2k-5_1-branch/CP2K_INPUT/MOTION/MD.html#ANNEALING

On Friday, June 15, 2018 at 6:10:20 PM UTC+1, Dawid das wrote:
>
> 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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