mdtraj.isothermal_compressability_kappa_T¶
- mdtraj.isothermal_compressability_kappa_T(traj, temperature)[source]¶
Calculate the isothermal compressability.
- Parameters:
traj (mdtraj.Trajectory) – An mdtraj trajectory.
temperature (float) – The temperature of your trajectory, in units of kelvin.
- Returns:
kappa – The isothermal compressability, in units of bar^-1.
- Return type:
float
Notes
Equation (4) in Fennell, Dill. J. Phys. Chem. B, 2012.