QM/MM calculations with Tinker


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Posted by Evgeniy on December 20, 2011 at 16:24:07:

Dear Users and Developers of Molcas,

I am wondering if Molcas 7.4 works with Tinker 6.0 (the latest release). In particular, I am interested in using AMOEBA polarizable FF in QM/MM calculations (QM from Molcas, MM from Tinker). Will it work with Molcas7.4?

Best regards,
Evgeniy


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