I am sorry I wasn’t clear with my question.
I found the option. It is the “totalout” parameter in the cpptraj secstruct
Thank you for your help!
Myriam Hanna
> On Mar 14, 2019, at 13:20, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> Hi,
>
> The file produced by 'out' (e.g. 'dssp out dssp.agr') will contain the
> secondary structure assignment (via a number) vs time for each
> residue. Is that what you need?
>
> -Dan
>
>
>> On Wed, Mar 13, 2019 at 11:30 AM Myriam Hanna <myriamkhanna.gmail.com> wrote:
>>
>> Hello,
>>
>> Is there a way to obtain a graph, a plot (not a ‘map’ the one that is generated by gnuplot) of secondary structure of residues vs time using cpptraj?
>> I can obtain .gnu .agr .xvg files but none of them show a plot that looks like rmsd or rmsf plots for dssp residues vs time
>>
>> Thank you for your help
>>
>> Myriam Hanna
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Received on Thu Mar 14 2019 - 07:00:02 PDT
