[lammps-users] damping parameter units in npt

Dear all,
I am little confused by the Pdamp and Tdamp parameters in fix npt. The following statement is from the www site.

For example, a value of 100.0 means to relax the temperature in a timespan of (roughly) 100 time units (tau or fmsec or psec - see the units command).

I am using units real, so does that mean relaxation occurs at every 100fmsec?
My concern is following: by default the time step is 1fs for units real but in my simulations I use 0.1fs as timestep. Relaxation occurs still at every 100fs or at every 10fs? I figured it would say time steps or just steps, just wanted to make sure.

Thanks,
Burcu E.

I am using units real, so does that mean relaxation occurs at every
100fmsec?

Yes, the relaxation time is 100 fmsec, regardless of what you
choose for the timestep. Note that T and P correction factors
are applied at every timestep; their cummulative effect occurs
at the 100 fmsec timescale.

Steve

Hello everyone,

This is a general question regarding the microcanonical and canonical
ensemble. If you have a system trajectory according to the microcanonical
ensemble, can you still calculate the Free energy of the system?

Thanks
Jaime Sanchez