You never specified a reference structure; read Satyajit's responses more
clearly...
> I require assistance with the "atomicfluct" command in Amber. Despite using the command snippets provided in the manual, I encountered an error message.
>
> [rms ref MyAvg]
> TIME: Total execution time: 10.7006 seconds.
> Error: Reference mode # atoms on rank (0) != # atoms on master (227775)
0 atoms in reference structure
> average crdset MyAvg
> run
reference MyAvg
> rms ref MyAvg
> atomicfluct out fluct.dat
--tec3
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Received on Mon Apr 24 2023 - 11:30:03 PDT
