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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