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radical.ensemblemd.mdkernels 0.2

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.

0.1 Initial Version June 04. 2014

 
File Type Py Version Uploaded on Size
radical.ensemblemd.mdkernels-0.2.tar.gz (md5) Source 2015-05-20 8KB