[CP2K-user] Thermostat individual molecules
MD Simulation
mdsimula... at gmail.com
Sun Jan 5 15:50:42 UTC 2020
Hi,
I need to run a simulation of a molecule being shot at a surface. I'd like
to do two things: 1) thermostat the surface and 2) assign a specific
velocity to the small molecule.
I see in the MD/THERMOSTAT section, there is a keyword REGION...is this
what I would want to do?
If anyone has some ideas, I would appreciate it!
Thanks for the help,
Chase
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