Hi all,
How do we select optimum parameters for Tdamp, Pdamp, and drag in a Noose Hoover npt thermo and barostats
What do we check if our results are fine?
Thank you,
Murali
Hi all,
How do we select optimum parameters for Tdamp, Pdamp, and drag in a Noose Hoover npt thermo and barostats
What do we check if our results are fine?
Thank you,
Murali
The doc pages discuss what the params mean - so run a small simulation
and vary the values and see what happens in your model.
Steve