While analyzing the trajectories in cpptraj for cluster, I got the
following errors:
Writing 'cluster.c0' as Amber NetCDF
Operation not supported
Error: Opening Netcdf file cluster.c0 for Write.
Error: Could not set up cluster trajectory cluster.c0 for write.
Writing 'clusteroutname.c0.pdb' as PDB
Warning: No PDB space group specified.
Warning: Set 1; unit cell is not X-aligned. Box cannot be properly
stored in PDB CRYST1.
Writing 'clusteroutname.c1.pdb' as PDB
Warning: No PDB space group specified.
Warning: Set 1; unit cell is not X-aligned. Box cannot be properly
stored in PDB CRYST1.
Writing 'clusteroutname.c2.pdb' as PDB
Warning: No PDB space group specified.
Warning: Set 1; unit cell is not X-aligned. Box cannot be properly
stored in PDB CRYST1.
Writing 'clusteroutname.c3.pdb' as PDB
Warning: No PDB space group specified.
Warning: Set 1; unit cell is not X-aligned. Box cannot be properly
stored in PDB CRYST1.
Writing 'clusteroutname.c4.pdb' as PDB
Warning: No PDB space group specified.
Warning: Set 1; unit cell is not X-aligned. Box cannot be properly
stored in PDB CRYST1.
Cluster timing data:
Is there a way to troubleshoot this?
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Received on Thu Aug 04 2022 - 13:34:47 PDT
