Problem of adbf QM/MM

ningz... at ningz... at
Fri Dec 8 15:08:35 UTC 2017

Dear all,
   I am using your adbf QM/MM scheme to do some calculations in aqueous 
solution. But I have some problems. Here I want set the two organic 
molecules as core 
QM region. One organic molecule has many atoms.  So I hope water 
solvents near the such big organic molecule are not included in dynamic QM 
and buffer region? I use ADAPTIVE_EXCLUDE_MOLECULES keyword, but it can not 
work. How can I do?
   Best regards,
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