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about [CP2K Open Source Molecular Dynamics ]

AMBER, CHARMM, …). CP2K can do simulations of molecular dynamics, metadynamics, Monte Carlo, Ehrenfest dynamics, vibrational analysis, core level spectroscopy, energy minimization, and transition sta...
download [CP2K Open Source Molecular Dynamics ]

Initial checkout To clone the current master: git clone --recursive https://github.com/cp2k/cp2k.git cp2k or to directly checkout a branch (check the CP2K GitHub project page for available branches...