Hello, every ADFer,
     Now I am trying to use the ADFQMMM method to calculate some systems,
but at first, when I apply the calculation to C5H4(CH3), a ring structure,
and let the group of Me as MM region, the other part is QM region. but
unfortunately, the out file gavee the messages:
MM input taken from QMMM keyblock in ADF input
  MM restart file written to: mm.restart
out of range connections defined for atom: 6
              5 11 12 13 0 0
out of range connections defined for atom: 6
              5 11 12 13 0 0
out of range connections defined for atom: 6
              5 11 12 13 0 0
I do not know about the possible errors. and the similar environment to the
C6H5(CH3), and also let the CH3 as MM region, C6H5 as QM part, the
calculation is correctly performed.

  Thank you in advance!

Wan Xiaohong
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Wan Xiaohong
Professor Miyamoto laboratory
Department of Materials Chemistry
Graduate School of Engineering, Tohoku University
Aoba-yama 07, Sendai 980-8579, Japan
Fax:+81-22-217-7235
Tel: +81-22-217-7237
email: xhwan_at_aki.che.tohoku.ac.jp
             xhwan_at_hotmail.com
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Received on 2000-10-30 14:51:52