Perhaps my fault, C programmer... Easy fix +1 or convert to FORTRAN
> On Jun 13, 2019, at 9:12 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> 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
>>
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jun 13 2019 - 13:00:03 PDT
