On Tue, Dec 16, 2014, Christina Bergonzo wrote:
> > is it available in leap a library for phosphoserine?
> Yes, these parameters can be found in the Bryce database under Proteins:
>
> http://www.pharmacy.manchester.ac.uk/bryce/amber/
Even better (we hope!) are the modified parameters that come with Amber:
look at $AMBERHOME/dat/leap/cmd/leaprc.phosaa10, especially at the comments
at the top of this file that explain the nomenclature and provide references
to the literature. You have the choice of phosphoserine with either a 1- or a
2- net charge.
....dac
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Received on Tue Dec 16 2014 - 08:30:02 PST
