Compatibility

BioSimSpace has been tested against the following versions of its external dependencies:

AMBER

• AmberTools20 (Except CMAP support, e.g. ff19SB.)

• AmberTools19

• AmberTools18

GROMACS

• 2020 series

• 2019 series

• 2018 series

NAMD

• 2.14

• 2.13

• 2.12