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,
Daniele
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Nov 17 2017 - 02:30:02 PST
