Re: QM/MM calculations with Tinker


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Posted by Evgeniy on January 09, 2012 at 14:24:56:

In Reply to: Re: QM/MM calculations with Tinker posted by Nicolas Ferré on January 03, 2012 at 13:16:36:

: : is it planned to be done in the next (7.8) release of Molcas?

: Unfortunately, nobody's currently working on that.

: NF

Thanks for your replies. One more question, is Molcas7.6 can do QM/MM
with Tinker5.1 using the AMOEBA FF and accounting for polarization
of the MM part?




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