Dear all,
I am currently looking for force field parameters (in particular atomic charges) for mono amino acids at acidic conditions (pH < 2) and basic conditions (pH > 12).
Is there a way to add a -COOH to an amino acid instead of COO-? I have also been looking in the literature however I have found none. But maybe I am missing something here.
Has someone an idea where I could find such parameters. Or is it best to develop my own?
Thanks a lot in advance for the help
Alain Chaumont
Alain Chaumont
Universitee de Strasbourg
Laboratoire MSM
1, rue B. Pascal
67008 Strasbourg
France
+33.(0)3.68.85.15.46
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Received on Fri Apr 10 2015 - 00:30:02 PDT
