This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.
Removed duplicate code from a fix a long time ago (RE-EDS block no longer having the ALPHALJ / ALPHAC) parameters.
I also tweaked the EDS block so it is compatible with the current up to date gromosXX code.
Added a comment in the electrostatics block to account for the recent work from Salomé.
Removed duplicate code from a fix a long time ago (RE-EDS block no longer having the ALPHALJ / ALPHAC) parameters. I also tweaked the EDS block so it is compatible with the current up to date gromosXX code. Added a comment in the electrostatics block to account for the recent work from Salomé.
Status