Hi,
There's no specific command for doing RMSD of dihedrals to reference
dihedral values. It's an interesting idea.
You may have some luck implementing this via pytraj and using the
'multidihedral' command. Some python coding will be involved.
I'll open an issue on GitHub in the meantime.
-Dan
On Fri, Jun 14, 2019 at 12:24 PM Lod King <lodking407.gmail.com> wrote:
>
> Hi Amber
>
> I want to calculate the RMSF using psi angle in cpptraj,
>
> can someone refer me the command?
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Received on Fri Jun 14 2019 - 11:30:03 PDT
