[gmx-users] LJ scaling and EnerPress correction

Mark Abraham Mark.Abraham at anu.edu.au
Tue Nov 10 11:05:06 CET 2009

Antonia V. wrote:
> Dear all,
> 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?

> 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?


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