Re: [gmx-users] Error bars - g_wham

Hi Stephen, computing errors from umbrella sampling is not trivial at al. Generally, there are two possibilities: - If each histogram overlaps only with one neighboring histogram, you *must* know the autocorrelation time of each window. This is often a problem in MD simulations, because there

Re: [gmx-users] error bars g_wham

On 6/20/11 Jun 20,1:01 PM, Gavin Melaugh wrote: Hi all I have read the manual and the recent JCTC paper on g_wham, and I was wondering how to actually get the error bars on the profile.xvg file outputted from g_wham. Many Thanks Gavin Hi Gavin, the error bars are at the moment only in bsResu

Re: [gmx-users] error bars g_wham

Gavin Melaugh wrote: Hi all I have read the manual and the recent JCTC paper on g_wham, and I was wondering how to actually get the error bars on the profile.xvg file outputted from g_wham. A suitable combination of g_wham -bs-method -nBootstrap, etc. See g_wham -h. -Justin -- ===

[gmx-users] error bars g_wham

Hi all I have read the manual and the recent JCTC paper on g_wham, and I was wondering how to actually get the error bars on the profile.xvg file outputted from g_wham. Many Thanks Gavin -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Pleas