ORGLIST: MM3 parameters

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From: Uno Mäeorg (uno$##$chem.ut.ee)
Date: Fri Oct 29 1999 - 03:11:02 EDT

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Hi colleagues,

I recently started the calculations of IR spectral fequencies with TINKER
programm using MM3 method. The parameter set is from 1999.
Unfortunately this set does not contain torsional parameters for
HC(sp)C(sp)C(sp3) and C(sp3)C(sp)C(sp)C(sp3) type compounds,
correspondingly 124-4-4-1 and 1-4-4-1 type of molecule.

Can you tell me the source where more parameters for MM3 are available.

Best regards

Dr. Uno Maeorg

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