The current design of the Gromacs_genbox class uses the Gromacs command genbox to create a simulation "box" containing a solvated molecule. This was based on protocol derived using Gromcas 4.6.7, which is no longer maintained.
However, as of Gromacs 5.0, the genbox tool has been split into solvate and insert-molecules commands.
Therefore the plugin will not run using using the latest version of Gromacs (2019.3), or rather, additional BaseGromacsCommand classes will be required to support Gromacs >= 5.0.
The current design of the
Gromacs_genbox
class uses the Gromacs commandgenbox
to create a simulation "box" containing a solvated molecule. This was based on protocol derived using Gromcas 4.6.7, which is no longer maintained.However, as of Gromacs 5.0, the
genbox
tool has been split intosolvate
andinsert-molecules
commands.Therefore the plugin will not run using using the latest version of Gromacs (2019.3), or rather, additional
BaseGromacsCommand
classes will be required to support Gromacs >= 5.0.