QM/MM with isolated QM box

shihao shi... at gmail.com
Thu Feb 18 03:07:56 CET 2010


Sorry about that.  I didn't attach other files because they are too
complicated and I don't want to waste you too much time.  I'll try to
see if the problem could be reproduced by a very small system
(although I'm not sure about it) and I'll update it here.

Regards,
Shihao



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