Hi Xiaonan,
If this was how you ran WHAM, I see a typo in the third input number:
>
> I typed in a command like this:
> ./wham 7.40 7.65 0.01 0.01 300.0 0 metafile wham_trial.out
^^^^^
7.40 is r_min i.e. min distance
7.65 is r_max i.e. max distance
0.01 <---- this should be the number of bins you would like to have between
7.40 and 7.65 Angstroms; if you would like the bin *size* to be 0.01, then
the number of bins should be 25.
Hope this helps!
Jenny Iskrenova
Department of Chemistry
Michigan State University
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Received on Wed Mar 25 2009 - 01:15:53 PDT
