Hi,
That is the total fraction of each secondary structure type for each
frame. See 34.11.73 (secstruct) in the Amber 21 manual for more
details.
-Dan
On Fri, May 7, 2021 at 2:53 AM Sadaf Rani <sadafrani6.gmail.com> wrote:
>
> Dear Amber user
> Can you please help me to understand the output of dssp calculation in
> amber.
> I have run a short (20ns)MD simulation of protein. I am not getting the
> clear understanding of output file columns as mentioned below. Could you
> please guide me a little how should I interpret it? Please find the output
> file attached.
> #Residue Extended Bridge 3-10 Alpha Pi
> Turn Bend
> 1 0.0000 0.0000 0.0000 0.0000 0.0000
> 0.0000 0.0000
> 2 0.0000 0.0000 0.0000 0.0000 0.0000
> 0.0000 0.0000
> 3 0.0000 0.0000 0.0000 0.0000 0.0000
> 0.0000 0.0495
> 4 0.0000 0.0000 0.0000 0.0000 0.0000
> 0.0000 0.0000
> 5 0.0320 0.0000 0.0000 0.0000 0.0000
> 0.0000 0.0000
> 6 0.9995 0.0000 0.0000 0.0000 0.0000
> 0.0000 0.0000
> 7 1.0000 0.0000 0.0000 0.0000 0.0000
> 0.0000 0.0000
> 8 1.0000 0.0000 0.0000 0.0000 0.0000
> 0.0000 0.0000
> 9 1.0000 0.0000 0.0000 0.0000 0.0000
> 0.0000 0.0000
> 10 1.0000 0.0000 0.0000 0.0000 0.0000
> 0.0000 0.0000
> Regards
> Sadaf
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Received on Fri May 14 2021 - 09:00:03 PDT
