mdtraj.isothermal_compressability_kappa_T¶
- mdtraj.isothermal_compressability_kappa_T(traj, temperature)¶
Calculate the isothermal compressability.
- Parameters
- trajmdtraj.Trajectory
An mdtraj trajectory.
- temperaturefloat
The temperature of your trajectory, in units of kelvin.
- Returns
- kappafloat
The isothermal compressability, in units of bar^-1.
Notes
Equation (4) in Fennell, Dill. J. Phys. Chem. B, 2012.