Hey Ben,

I’ve been generating some models of some cytochrome proteins with heme. I have generated ~6 structures that are all fine but the next two have the heme placed out in space relative to the protein. I have seen this before but have put it down to user error. Now I’m not so sure its me as I have been simply replicating the input files. Any suggestions? (I don’t what to post files to bulletin board but can send direct (if needed)).

J

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Joel Tyndall, PhD

Associate Professor in Medicinal Chemistry
National School of Pharmacy
University of Otago
PO Box 56 Dunedin 9054
New Zealand  

Skype: jtyndall

Ph: +64 3 479 7293