[AMBER-Developers] [chikira.kc.chuo-u.ac.jp: Re: [AMBER] adqmmm with PM6 for copper complex]

From: David Case <david.case.rutgers.edu>
Date: Sat, 21 Jan 2017 21:53:07 -0500

----- Forwarded message from M_Chikira <chikira.kc.chuo-u.ac.jp> -----

My complex is an open shell molecule. I will try PM6 in another software.

Developers: I know it's probably a big job, but being able to do UHF
calculations in sqm and sander would be a really nice option! I hope someone
will volunteer....


AMBER-Developers mailing list
Received on Sat Jan 21 2017 - 19:00:02 PST
Custom Search