[AMBER] AMBER QM/MM Point charges

From: daniele selli <daniele.selli.unimib.it>
Date: Fri, 17 Nov 2017 11:05:11 +0100

Dear All,

I would like to know if the AMBER software allows for explicit-interaction
QM/MM simulations.
This means that AMBER should be able to handle external point charges
(the one from the QM part of the calculation) and calculate forces on
them (at each MD step). Does AMBER allow that?

Thank you all for your willingness,
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Received on Fri Nov 17 2017 - 02:30:02 PST
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