In any of the barostats (and thermostats) the pdamp (tdamp) is in time units so if I’m using “units real”, time is in fs. So to make sure I’m understanding correctly, if using these settings:
timestep 20.0
fix under_pressure all press/berendsen iso 1.0 1.0 5000.0 modulus 22000.0
This means to couple pressure to 5 ps or in 250 time steps?
I’m looking for a sanity check because the paper I’m referencing said they used a timestep of 20fs and weak pressure coupling with a tau of 5 ps.
Thanks for the help