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 Tue Mar 26 2024 - 11:30:03 PDT
