Re: QM/MM calculations with Tinker


[ Molcas user's WWWBoard ]

Posted by Evgeniy on January 02, 2012 at 19:09:14:

In Reply to: Re: QM/MM calculations with Tinker posted by Nicolas Ferré on January 01, 2012 at 21:51:38:

: 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

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



Follow Ups:



Post a Followup

Name:
E-Mail:

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:


[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]