Re: QM/MM calculations with Tinker


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Posted by Nicolas Ferré on January 01, 2012 at 21:51:38:

In Reply to: QM/MM calculations with Tinker posted by Evgeniy on December 20, 2011 at 16:24:07:

No, it doesn't (yet?). However, the coupling with Tinker5.1 already allows the use of amoeba. Please update your Molcas version to 7.6 if you intend to use this feature.

NF



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if B is 1s22s22p1, what is Li?

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