My first attempt would be contact the corresponding author first.
H
On Mon, Sep 11, 2017 at 10:09 AM Anhui Wang <wangah.mail.dlut.edu.cn> wrote:
> Hello everyone,
>
>
> I read a paper in which the MD simulation of HP-beta-cyclodextrin was
> performed with Amber.
>
>
> HP-beta-cyclodextrin is a cyclic oligosaccharide made up of seven dextrose
> units and seven hydroxypropyl groups (R group).
>
>
> Here is the structure of HP-beta-cyclodextrin:
>
>
>
>
>
>
> 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?
>
>
> Any help from you will be greatly appreciated.
>
>
> Yours sincerely,
> Anhui
>
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Received on Mon Sep 11 2017 - 09:30:03 PDT
