PIMD thermostat

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Ali Eltareb
Posts: 39
Joined: Tue Jul 30, 2019 10:46 am

PIMD thermostat

Post by Ali Eltareb » Mon Nov 16, 2020 12:25 pm

Hi,

I wanted to know what type of thermostat is the RPMD plugin using. Is it a local or a global thermostat? The manual isn't clear about which type of thermostat it is. The manual mentions the paper "Efficient stochastic thermostatting of path integral molecular dynamics", however the paper itself has two implementations of a stochastic thermostat, local and global.

Ali

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