ToDo
From MSL-Libraries
Jump to navigationJump to search- CharmmParameterReader: Add support for wild cards in CHARMM parameter file (used in param 19, not used in 22). Documentation at http://www.charmm.org/html/documentation/c32b2/miscom.html
- EnergySet: implement: 1) copy constructor; 2) void deleteInteractionsWithAtom(Atom & _a); 3) void deleteInteractionsWithAtoms(AtomPointerVector & _atomVec);
- CharmmSystemBuilder: implement removeIdentity and mutate functions
