you cna use DSSP in ptraj and write a script to process the results. works
fine
On Thu, Jan 29, 2009 at 3:10 PM, Beale, John <jbeale.stlcop.edu> wrote:
> I am doing dynamics simulations on a peptide that has predominately
> alpha helical character, but the amount of helix changes during MD. I
> would like to make a plot of the percentage alpha helix of the protein
> over the duration of the simulation. Is there a way to do this?
>
>
>
> John
>
>
>
>
>
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Received on Sun Feb 01 2009 - 01:12:50 PST
