AMBER Archive (2009)

Subject: [AMBER] semiempirical copper

From: Jacopo Sgrignani (sgrignani_at_cerm.unifi.it)
Date: Thu Dec 03 2009 - 08:09:57 CST

Dear All
i would like to run a QM/MM simulation of a metalloprotein with a copper
atom.

Are there semiempirical methods to do it in Amber? To date i'was not able
to find it in the manual.

Could anybody give me any advices about this type of simulations.

Thanks a lot

Jacopo

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