Hi,
Historically, PTRAJ always numbered clusters starting from 0 and
sorted by population (cluster 0 = most populated). CPPTRAJ has
continued this convention. All cluster output should have a cluster 0.
-Dan
On Thu, Jun 13, 2019 at 1:04 PM <dnlfr1994.gmail.com> wrote:
>
> Dear users,
>
>
>
> I am currently working on clustering analysis of several MD with a system
> with 600 aminoacids for 200 ns simulations.
>
> I have plotted the kdist plots for kdist 1 to 10 and from this results
> obtained I use the following input:
>
>
>
> cluster C0 dbscan minpoints 4 epsilon 1 sievetoframe rms :1-279 sieve 10 \
>
> out dbscan_clust/cnumvtime.dat sil Sil \
>
> summary dbscan_clust/summary.dat info dbscan_clust/info.dat \
>
> cpopvtime dbscan_clust/cpopvtime.agr normframe repout
> dbscan_clust/rep repfmt pdb \
>
> singlerepout dbscan_clust/singlerep.nc singlerepfmt netcdf avgout
> Avg avgfmt restart
>
> run
>
> clear all
>
>
>
> The clustering runs OK with no noticeable problems. However, it has me
> intrigued to see that unlike all other clustering plots I have seen
> (clusters starting at 1), the clusters on this one start from cero. I fail
> to find a reason for this behaviour. Find a picture of the pop vs frame I
> get at the bottom of this message.
>
>
>
> I would really appreciate it if anyone could help me solve this problem
>
>
>
> Thank you in advance,
>
>
>
> Daniel Fernández
>
>
>
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Received on Thu Jun 13 2019 - 12:30:02 PDT
