[gmx-users] Bin size for an Umbrella Sampling analysis

[Kevin C Chan]

Dear Users,

I am doing analysis for umbrella sampling and find the chosen bin size affecting the overlapping of histograms. While we should always guarantee a “well” overlapped histogram, choosing of bin size seems to have certain criteria that I did not expect before. 

Looking forward to any experience sharing.

Regards,


Kevin
PhD Candidate
Department of Physics and Material Science
City University of Hong Kong
ukevi at gmx.hk