Mercurial > repos > marcel > caddsuite_mac10_6
view CADDSuite-1.6/data/OpenBabel/mmff94.ff @ 9:488032d372e1 draft
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author | marcel |
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date | Sat, 15 Dec 2012 13:16:40 -0500 |
parents | dbb480e39d95 |
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# # MMFF94 paremeter files # # atom properties prop mmffprop.par # fallback defs def mmffdef.par # bond stretching parameters bond mmffbond.par # angle bending parameters ang mmffang.par # empirical rule parameters (bond stretching) bndk mmffbndk.par # charge parameters chg mmffchg.par # empirical rule parameters (bend-stretch) dfsb mmffdfsb.par # out-of-plane parameters oop mmffoop.par # partial bond charge increments pbci mmffpbci.par # strech-bend parameters stbn mmffstbn.par # torsion parameters tor mmfftor.par # van der waals parameters vdw mmffvdw.par