Hi Amber
I ran the following command:
> >parm myparm.prmtop
> >trajin mytrajectory.dcd
> >rms first
> >average crdset MyAvg
> >run
> >rms ref MyAvg
> >atomicfluct out backbone-atoms.agr .C,CA,N by byres
This should give me the phi/psi angle instead of CA RMSF right?
I then performed
>>atomicfluct out RMSF.dat :1-198.CA byres
This will give the CA rmsf only, right?
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Received on Fri Jun 14 2019 - 10:00:04 PDT
