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New RMSD implementation
RMSD re-implemented from scracth for the case where align==displace. The new routine is much faster, but has some problem of numerical stability (rt32 is broken). The code is choosing automatically between new version (when align==displace) and old version (when align!=displace) so as to allow the latter for e.g. docking. In RMSD.cpp, you can edit these lines: // set to true one of these to enforce old routine (Davide's) or new one (Giovanni's) const bool enforce_old=false; const bool enforce_new=false; to enforce old/new version.
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