AMBER Archive (2006)Subject: AMBER: preparing ligand/rna structure for MD
From: sethl_at_gatech.edu
Date: Mon Aug 28 2006 - 13:45:17 CDT
Dear Amber Community,
I am doing some intercalation studies with various nucleic acid structures and
small molecules. I created an intercalation site and used the software Chimera
to dock a molecule of proflavine into the site by hand. What would I need to do
before this structure would be ready for MD? Currently I can not open the file
in
xleap because I get a fatal bond atom error causing leap to crash.
Thanks,
SETH
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