MMFF VI. MMFF94s option for energy minimization studies

Journal of Computational Chemistry

Volumn 20, Issue 7, 1999, Pages 720-729

  Halgren, Thomas A ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

Base pair; Delocalized trigonal nitrogen; Force field; Puckering

Indexed keywords

EID: 5544242529     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199905)20:7<720::AID-JCC7>3.0.CO;2-X     Document Type: Article

References (25)

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24. For information on accessing this Supplementary Material, see the footnote on the first page of this article.
25. The MMFF94 validation suite can be accessed via the Web at http://ccl.osc.edu/cca/data/MMFF94 or at ftp://ccl.osc.edu/pub/chemistry/data/MMFF94. Alternatively, the MMFF94 suite can be accessed via ftp at ccl.osc.edu; cd to pub/chemistry/data/MMFF94. This location is part of the Computational Chemistry List archive site maintained by the Ohio Supercomputer Center. The MMFF94s validation suite, which will be posted when this article appears, will have a similar address, but with MMFF94 replaced by MMFF94s.