Hi,
The NALA terminal charges are the same in both Amber03 and Amber99
although the corresponding ALA residue charges are different in those
forcefields. Here is the report by a Gromacs user who noticed it:
http://redmine.gromacs.org/issues/1466
Is that correct or the charges need to be fixed?
Rossen
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Received on Thu May 15 2014 - 07:30:08 PDT