[gmx-users] g_clustsize

[V.V.Chaban]

The sum of these "probabilities" is never the same. It is confusing.
If no clusters exist (all particles are lone) then the sum of
probabilities equals the sum of all particles. If clusters exist, the
sum is different and it is unclear how it is derived.

If the output property is still a probability: is it a probability
that N atoms exist as a cluster or it is a probability that such a
cluster exists within all possible clusters (a fraction of a given
cluster)?






On Sun, Jul 5, 2015 at 5:40 PM, David van der Spoel
<spoel at xray.bmc.uu.se> wrote:
> On 05/07/15 14:09, V.V.Chaban wrote:
>>
>> g_clustsize creates file 'histo-clust.xvg'. What does y-axis in this file
>> mean?
>>
>> If this is a probability than of what?
>
> Probability of cluster size, what else?
>>
>>
>>
>> @    title "Cluster size distribution"
>> @    xaxis  label "Cluster size"
>> @    yaxis  label "()"
>> @TYPE xy
>>      0     0.000
>>      1    28.385
>>      2     7.135
>>      3     1.552
>>      4     0.447
>>      5     0.120
>>      6     0.034
>>      7     0.009
>>      8     0.003
>>      9     0.001
>>     10     0.000
>>     11     0.000
>>     12     0.000
>>
>
>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205.
> spoel at xray.bmc.uu.se    http://folding.bmc.uu.se
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