From: William Tao (ywtao.smu_at_gmail.com)
Date: Thu Jul 19 2018 - 16:20:43 CDT
Hello NAMD community,
I am planning to employ NAMD for studying a chemical reaction, given the
recent implementation of QM/MM in 2.12.
However, I am not quite sure whether we can employ Colvars module, e.g.
metadynamics or ABF, by setting the collective variables concerning the
bonds to be broken or formed in the QM region.
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