[gmx-users] LJ scaling and EnerPress correction
antonia_haha at hotmail.com
Thu Nov 12 10:09:52 CET 2009
> > I am trying to simulate a two component system, and I would like to ask
> > you the two following questions:
> > 1) Is it possible to use a different scaling factor (for the LJ and the
> > electrostatics) for each component?
> Not natively. How would you like to treat non-bonded interactions
> between atoms belonging to different components?
I am still trying to figure that out.
According to the force fields I am using for the bulk systems of the two components are applying different scaling factors.
> > 2) Is it possible to use energy and pressure correction only for the one
> > of the two components and not for the other?
> No. Why would you want to do this?
Because the force fields that I am using to describe my two-component system, are different in this aspect.
The one of them was "designed" using energy and pressure correction and the other one not.
Thank you for your reply
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