> And I also change the S in all_amino94.prep from "E" to "S", which would
> allow S to form two bonds.
This may or may not matter to leap.. technically what leap is
designed to expect is to set a connectX atom, but you may be
able to bond ok anyway.
> After that, when I run tleap, it stopped at loading the parameters of CYM.
Did it give a message that might explain why?
Bill
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Received on Wed Nov 03 2010 - 14:00:03 PDT
