[gmx-users] Which content is in gmx wham -hist output file?

[shakira shukoor]

The different columns indicates the counts or probability of different
binning distances or the windows you have considered in the simulation.

On Fri, Jan 10, 2020 at 1:55 PM 변진영 <byunjy0614 at gmail.com> wrote:

> Dear All,
> I have tried to run umbrella sampling with GROMACS.
> When I tried to analyze the umbrella sampling MD simulation result,  I
> used the module, gmx wham so that I got the result file named ‘histo.xvg’ .
> What I wonder is what does columns mean except the 1st. column(I know the
> 1st. column is reaction coordinate.)
> I think that roughly the other columns except the 1st. Columns mean the
> counts or probability for each reaction coordinate, but I don’t know what
> the columns suggested in detail.
>
> Do you know what they are????
>
> Thank you
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-- 
*Best Regards*

Shakkira E
PhD student INSPIRE Scholar
Department of Chemistry
sdmdlab.xyz
IIT Patna
Bihta
Patna 801106