Classical Molecular Dynamics

August Melcher august... at gmail.com
Wed Apr 2 22:02:24 UTC 2014


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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