minor bug that caused displayed energies to be in different units during statistics printing
Seems like a units bug was introduced in the GroTop parser. Should be fixed now
bug in ConvertOPLS; GtoL for dihedral3 works correctly
Seems like a units bug was introduced in the GroTop parser. Should be fixed now
bug in ConvertOPLS; GtoL for dihedral3 works correctly
Improving the Desmond parser.
Almost working now. Sites are duplicated in output, but should
still be able to run.
Eliminating a formatting error in one of the Desmond input files.
Merge remote-tracking branch 'origin/master'