I am trying to calculate partial charges for polysacharides or MD
simulation.
(1) Is R E D better than antechamber for calculating partial charges to
poly saccaharides,
(2)Antechamber can calculate partial charges for monosaccharides, can
these charges be used to bulid oligo sachaarides ( of different segments )
, without actually optimising the whole oligosaccharide molecule ( say
pentamer )
Thanks
K. P. Santo
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Received on Tue Jul 02 2019 - 07:00:02 PDT
