BAC is a tool for molecular dynamics binding affinity calculations.
Project description
# radical.ensemblemd.mdkernels
A thin wrapper around common molecular dynamics engines, like AMBER, NAMD, GROMACS, etc.
BAC is a tool for molecular dynamics binding affinity calculations.
# radical.ensemblemd.mdkernels
A thin wrapper around common molecular dynamics engines, like AMBER, NAMD, GROMACS, etc.