Greetings,
I am running an mmpbsa_py on a complex with a small molecule that contains Br.
I am getting this error:
Beginning GB calculations with sander...
calculating complex contribution...
bad atom type: br
I assume the error is because of the Br.
I would be grateful if you suggest how to fix this problem.
Thanks very much,
Roman Osman
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Received on Tue Feb 28 2012 - 15:00:02 PST
