So any atom with a negative atomic number should be interpreted as a neutrino? Ok, I can deal with that. :)
More seriously though, I'm porting the AMBER force fields to work with a different MD code (OpenMM), and for that purpose I do need to know the element of each atom type. This same issue also comes up in all_amino03.lib, and possibly others I haven't come across yet.
Peter
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Received on Tue Oct 04 2011 - 10:00:03 PDT
