Hi,
> Thanks Tomas. I know that but there is a problem.Argon not defined in
> Amber. Not only Argon but also other inert gases.
you can simply define it by writing a frcmod file for Argon (or other
inert gases) and enter the mass and vdW parameters. Check the tutorials on
introducing new atom types.
Alternatively, build your wall from carbon atoms, if they have no charge,
thats still only a vdW wall.
Kind Regards,
Thomas
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Received on Thu Jul 28 2011 - 04:00:05 PDT
