[gmx-users] g_wham missing option

Nash, Anthony Anthony.Nash at warwick.ac.uk
Sat Feb 2 18:58:00 CET 2013


Hi All,

I am using Gromacs 4.5.5 and running free energy calculations. According to the article "g_wham - A Free Weighted Histogram......" (J. Chem. Theory. Comput. 2010, 6, 3713-3720), there is the option -bs-method. However, I am unable to find this option when running g_wham. I want to use bayesian bootstraps of complete histograms. 

I have a feeling I am missing something completely obvious. Any help would be appreciated. 

Thanks
Anthony 



More information about the gromacs.org_gmx-users mailing list