[gmx-users] the a.u. unit in the RMS distribution graph

[Christian Blau]

Hello Lalehan and Justin,


Thanks for the suggestion! The following patch : https://gerrit.gromacs.org/c/gromacs/+/14542 does exactly that.


Best,
Christian

On 2019-11-29 14:23, Justin Lemkul wrote:
>
>
> On 11/29/19 7:18 AM, Christian Blau wrote:
>> Hello Lalehan,
>>
>>
>> a.u. stands for "arbitrary units".
>>
>> The rmsd-dist contains a histogram over the distribution of rmsd values, you can read the a.u. as counts per 
>> length-interval.
>>
>
> I would suggest that all histograms that GROMACS produces actually be labeled reasonably in the code - using a.u. is 
> itself arbitrary because it has multiple possible meanings. If it's a raw histogram, we should be using "Frequency" 
> and if normalized, "Probability."
>
> -Justin
>