[CP2K:5132] Classical Molecular Dynamics

Teodoro Laino teodor... at gmail.com
Thu Apr 3 06:06:00 CEST 2014


METHOD FIST

On 03 Apr 2014, at 00:02, August Melcher <august... at gmail.com> wrote:

> Hey all,
> 
> Is it possible to run classical molecular dynamics in CP2K?
> 
> Is there a keyword to specific instead of METHOD Quickstep or METHOD QMMM?
> 
> Could I use METHOD QMMM and somehow set the QM box to 0x0x0?
> 
> Thanks,
> August
> 
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