VMD-L Mailing List
From: Stefan Franzen (Stefan_Franzen_at_ncsu.edu)
Date: Mon Nov 19 2012 - 15:38:05 CST
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Dear Community,
When do errors in RATTLE appear? We have had problems when we use
modifications (for example, modified amino acids or RNA-DNA hybrids). If
the parameters were not robust in the modified residues, one might expect
errors, but why RATTLE? Is there a kind of parameter or force field term
that is more prone to giving this problem?
Thank you,
Stefan
-- Stefan Franzen Professor of Chemistry North Carolina State University Raleigh, NC 27695 Phone: 919-515-8915
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