BSSE for each frame of a trajectory
ganta.pra... at gmail.com
ganta.pra... at gmail.com
Fri Aug 3 17:21:24 UTC 2018
Dear CP2K users/team,
Is it possible to calculate BSSE of each frame of a trajectory, by giving
the trajectory file as an input. (Like REFTRAJ). Please let me know
Have a nice weekend.
Thanks and Regards,
Prasanth.
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