biobb_gromacs is the Biobb module collection to perform molecular dynamics simulations using the GROMACS MD suite.
Biobb_gromacs is the Biobb module collection to perform molecular dynamics simulationsusing the GROMACS MD suite. Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over popular bioinformatics tools. The latest documentation of this package can be found in our readthedocs site: latest API documentation.
This software has been developed in the MMB group at the BSC & IRB for the European BioExcel, funded by the European Commission (EU H2020 823830, EU H2020 675728).