The Molecular Simulation Group's repositories
gmx_gk_autocorr
Calculate the viscosity from GROMACS MD simulations.
velocity
velocity.py reads in GROMACS trr trajectory (that inclides velocity information) and calculates center of mass translational velocity and angular velocity. It also computes translational and rotational kinetic energies, temperatures, velocity autocorrelation functions and power spectra
rotationaldiffusion
Extract rotational diffusion tensors of molecules from MD simulations.