Re: [AMBER] (UNKNOWN ATOM TYPE: UA)

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Thu, 24 Feb 2011 13:14:33 -0800

> (UNKNOWN ATOM TYPE: UA)

Leap keeps track of hybridization types for its internal molecule-
building functions. There's some cmd like 'addAtomTypes' that you
can see in the main ff load scripts. This might be what is missing
for your 2 atom types.

Bill

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Received on Thu Feb 24 2011 - 13:30:06 PST
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