Dear Users,
I want to run a simulation on RNA in presence of Mg ions. As of Amber12,
the parameter set for Mg+ are rather old defined by Aqvist et.al (1990).
While recently new Mg+ parameters sets have been defined by Villa
et.al.(2012) (Ref : Magnesium Ion water coordination and exchange in
biomolecular simulations). I want to know is there any way by which i can
use these new parameters with Amber12. What modifications i'll have to do
for this implementation and how?
Thanks
Asmi..
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Received on Wed May 16 2012 - 11:30:04 PDT
