Hi,
I’m new to Amber and would like to know whether the following is even possible: A QM-MM calculation with H2 (molecular hydrogen) in the QM region and water and other ions in the MM region.
If it is possible how do I work out what forcefield parameters Amber is using?
I realise this is not what Amber is meant for but I’m just trying to check some calculations of my own.
Many thanks,
Rob
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 27 2015 - 10:30:06 PDT
