There is no ADDREMOVE subblock of QUILD active yet, but in the future it will be added to be able to control how the capping atoms will be added in the case of regions with dangling bonds. I.e., which elements should be added, and so on. For the moment, only hydrogens will be added, which works without problems for QM/QM and/or QM/MM calculations on DNA, or simple peptides. Future developments should decide whether this needs to be adapted.




