>
>
> Personally, I couldn't use mdgx because of the same problem. I changed
> amber atom masks and tried new ways again and again, but I couldn't.
> Then I wrote my own script to generate dihedrals. Perhaps you should
> contact the mdgx developer (D.S. Cerutti) directly. I am sure he will
> answer.
>
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Received on Fri Apr 01 2022 - 21:30:02 PDT
