Dear Amber users
I want to run an MD of one atom of argon in a box of water, but I've come up up with a problem
Amber does not has parametrized the Argon, so I cannot make amber recognize the atom to generate the topology file, I have the Lennard-Jones parameter, but how can I add this new atom to the amber library?
thank you
Matias
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Received on Fri Jun 10 2011 - 10:30:04 PDT
