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ADDREMOVE subblock in QUILD block
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.
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