Morse potentail with charmm 27

From: Francesco Pietra (
Date: Sun Mar 24 2013 - 11:04:56 CDT


With NAMD 2.9 CUDA/VMD 1.9, I would like to treat a free diatomic
molecule (in the context of metalloproteins in TIP3 water) with Morse

Is that possible to treat everything with harmonic CHARMM 27 ff,
except the diatomic molecule with Morse potential? If so, I would be
very grateful for a layout where to insert what required for the
anharmonic potential (to replace the common "BONDS" section in CHARMM
27). I plan to use the same L/J data as for the harmonic potential.

Should there be anything obvious/trivial about this question, I beg
pardon since now.


francesco pietra

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