Hi mailing list,
I'd like to run MD for a polysaccharide and check how stable some
inter-residue interactions are. Due to limitation of computational
resources, I am thinking of using implicit solvent with Glycam force field.
Would this significantly undermine the accuracy since polar interactions
between sugar hydroxyl groups and water molecules are no longer modelled by
implicit solvent? Is there another way to get better accuracy and
performance with limited resources?
Thanks for any suggestion.
Yun
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Received on Sun Jul 24 2016 - 18:00:02 PDT
