Dear AMBER community,
Can force fields be trusted to simulate elevated pressure-induced conformational effects?
I’ve seen this done for pulling simulations, but what I have in mind here is to simulate the effects of compressing a protein between two surfaces (molecular junctions). Does this seem like a valid use of MD?
Best,
Matthew
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 12 2023 - 13:00:02 PDT
