On Mon, Sep 11, 2017, Anhui Wang wrote:
>
> In this paper, the authors use GLYCAM_06j-1 for the dextrose units and
> GAFF force field for R groups separately. Since they are covalently
> connected with each other, can you tell me how to use different force
> fields for different parts of a molecule?
Generally, parameters for bonds/angles/dihedrals invovled in the covalent
connection need to be specified in a frcmod file. These are usually estimated
by analogy to similar terms in one or another of the primary force fields.
....dac
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Received on Tue Sep 12 2017 - 04:30:03 PDT
