I'd like to obtain normal modes of a molecule with QM potential such as PM3 and
SCC-DFTB, which sander program supports. However, from the manuals of Amber11
and AmberTools 1.4, I get the impression it may not be possible with nmode or
NAB. Is there a way to do normal mode analysis with QM potential inside amber?
I'd appreciate if anyone can enlight me in this matter.
Jonggu Jeon
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Received on Tue Oct 12 2010 - 23:00:04 PDT
