- GRPY (Generalized Rotne-Prager-Yamakawa) package
The GPRY is an open source FORTRAN package for calculation of hydrodynamic properties of rigid bead models of macromolecules.
The package uses generalized Rotne-Prager-Yamakawa approximation of hydrodynamic interactions to compute translational and rotational diffusion coefficients, rotational relaxation times, sedimentation coefficient, and intrinsic viscosity. It generalizes previous approaches in a number of important ways, allowing for the use of overlapping bead models with different-sized beads, which provide a faithful representation of a macromolecular shape using a relatively small
number of beads. Additionally, due to the inclusion of the dipolar degrees of freedom in the mobility matrix, it allows for a direct calculation of intrinsic viscosity, without the need of shape-dependent correction factors, used in previous approaches.
Download: GRPY.zip (source code) Manual.pdf User Manual