David van der Spoel
spoel at xray.bmc.uu.se
Mon Jul 6 21:28:19 CEST 2015
On 06/07/15 06:05, V.V.Chaban wrote:
> 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
You have to integrate y*x I would say to normalize it.
> 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
>>> 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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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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