Hi,
What version of cpptraj are you using?
-Dan
On Tue, Mar 26, 2024 at 2:00 PM Joshi, Keya via AMBER <amber.ambermd.org> wrote:
>
> Hello Everyone,
>
> I am trying to perform dpeak clustering using cpptraj in amber and I am getting this error-
>
> Can anyone please guide me through the protocol, if I am doing anything wrong?
>
> Point Internal Error: In Algorithm_DPeaks::AssignClusterNum nearest neighbor is -1.
> Internal Error: In Algorithm_DPeaks::AssignClusterNum nearest neighbor is -1.
> /var/spool/slurmd/job34561166/slurm_script: line 21: 334571 Segmentation fault
>
> This is the input file I am using for clustering-
>
> cluster dpeaks epsilon 2.5 dvdfile 2vzg.RSFF2C.600K.dpeaks.dvd.dat choosepoints manual distancecut 2.55026 densitycut 0 gauss sieve 20 rms :1-15.CA,C,O,N nofit
>
> With Regards
> Keya Joshi
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Received on Wed Mar 27 2024 - 09:00:02 PDT
