I am working with a lanthanide-containing protein and the metal site is
octavalent. Leap doesn't allow me to form more than six bonds to the metal
site. How do I modify the valency restriction in leap?
Also, if I want to run a GBSA simulation, where do I include an appropriate
radius value (whatever that is) for my lanthanide?
Thanks,
Brent
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Received on Fri Jun 25 2004 - 22:53:00 PDT
