Hi,
Try the 'byres' keyword.
-Dan
On Tue, Jun 4, 2019 at 1:11 PM Lod King <lodking407.gmail.com> wrote:
>
> Hi AMBER
>
> *I used the following command to calculate RMSF, but I want the residues
> instead of atom in the x axis, can anyone tell how to select the residues?*
>
> >parm myparm.prmtop
> >trajin mytrajectory.dcd
> >rms first
> >average crdset MyAvg
> >run
> >rms ref MyAvg
> >atomicfluct out backbone-atoms.agr .C,CA,N
>
> *I also tried *
> >atomicfluct out backbone-atoms.agr :1-252.C,CA,N
>
> *but was not successful.*
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Received on Tue Jun 04 2019 - 10:30:03 PDT
