> Perhaps I should mention that atom names related to GAFF are in capital
> letters in the pdb files, like for leaprc.ff99SB.
There should only be atom *names* in the pdb file, and only *types*
in the leaprc. Not sure what you're saying, but hope that helps. Names
and types are juxtaposed in the .lib or .prep file.
Bill
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Received on Wed Mar 05 2008 - 06:07:38 PST
