hybrid simulations / MB-pol for NH3

[Giuseppe Cassone]

Dear developers,

I'm excited to see that MBX v1.2 supports hybrid simulations where 

MB-pol can be combined with conventional force fields. I would be

interested in simulating the behavior of water-ammonia mixtures,

where water is modeled via MB-pol and ammonia via some known 

parametrization (e.g., Fluid Phase Equil. 511, 112507 (2020)). How 

can I efficiently setup the working input files?

Alternatively, it would be too difficult to develop a many-body model 

for ammonia as well?

Many thanks in advance for your kind support.

Best wishes,

Giuseppe Cassone