[gmx-users] Bins in wham analysis

neeru sharma neeru.bioinfo at gmail.com
Tue Jul 24 13:41:00 CEST 2012

Dear Gromacs users,

I have a query regarding the number of bins used in wham analysis.

If I have performed by simulations over 15 umbrellas (15 different
staring structures), what should be the ideal number of bins to
perform wham analysis? Does it depend on the number of umbrellas. For

1) Should I use more than 15 bins in my case, and the one that gives
proper overlap in histogram ?
2) Or any number of bins (even if it is less than 12) can be used, if
I get proper overlap in my histogram output?

Any suggestion is appreciated.

Thanks and regards,

Neeru Sharma

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