you can use the DSSP in ptraj with "sectruct", see the manual for details.
On Mon, Jul 11, 2011 at 8:45 AM, qiao xue <xueqiaoup.gmail.com> wrote:
> Hello, Amber developers,
>
>
> Would you give me some advices to calculate the change of secondary
> structure in MD simulation of protein?
>
>
> I have seen some literatures of gromacs which use DSSP to analysis the
> change of secondary structure of protein in MD simulation. So whether
> Amber has similar tools to do this?
>
> If there is a tool for this. Would you give me some tutorials to use it?
>
>
> I am most grateful if you give me comments and advices.
>
>
>
> Thanks
>
> Qiao Xue
>
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Received on Mon Jul 11 2011 - 07:30:04 PDT
