From: AB (albumns_at_hotmail.com)
Date: Thu Jul 21 2011 - 11:49:39 CDT
I've got a modified small peptide and I would like to calculate the partial charge for the non-standard group in this derived peptide. For it would be used for MD simulation based on CHARMM FF, so I am wondering how can I calculate partial charge for the non-standard group based on CHARMM principle?
Thank you very much
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