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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
OLDCMMINDO — Use old MINDO3 parameters with COSMO.
OLDCMMINDO
In previous versions of AMPAC when COSMO was used in conjuction with MINDO3, the wrong set of parameters was used in the calcuation. This error is generally small and only affectted the COSMO portion of the calculation. This has been corrected in AMPAC 9 and this keyword is for backward compatability with older versions.
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Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
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OLDENS |