Antonia V. wrote:
> > 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.
So that brings us to the heart of the matter :-) Mixing forcefields is a
bad idea unless you can prove it works. See
http://www.gromacs.org/Documentation/Terminology/Force_Fields
Mark
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