Hi Eric,
Thanks a lot for your response. I'm at home at the moment, and I don't have vpn access to the cluster the job is running on. I'll gather all data first thing on Monday, and post it. Would it be useful if I post the output/molecule files as well?
Manuel Maestre Reyna
Academia Sinica
Institute of Biological Chemistry
128, Academia Road Sec. 2, Nankang, Taipei 115, Taiwan
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Received on Sat Jul 06 2013 - 09:30:03 PDT