RE: Problems with energy minimization

From: Morgan, Brittany (
Date: Wed Apr 09 2014 - 10:20:05 CDT

Hi James,

I would check your structure using the PSF to make sure that you do not have any bonds that should not be present. That can make your energy minimization fail catastrophically. I seem to recall an issue like this when using autodock myself, but it has been a long time so I don't remember the details--_000_B29D3F4FF460A345973A77CA7647D3181A734F4B78UMMSCSMAIL02a_--

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