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 - 10:30:02 PDT
