Dear AMBER Experts,
I tried to do clustering for my mdcrd files using the following cpptraj script:
------------------------------------------------------------------------------------------------------------------trajin ../mdcrd/xxx.mdcrdautoimagecluster out xxx average pdb averagelinkage clusters 10 mass rms .C1',CA------------------------------------------------------------------------------------------------------------------
However, I got the following message in the cpptraj.log file.
----------------------------------------------------------------------------------------------------------------------- [xxx.mdcrd] (1-500, 1) ------- 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.
Read 11500 frames and processed 11500 frames.
ACTION OUTPUT:CLUSTER: CpptrajPairDist found, loading pairwise distances.Warning: TriangleMatrix::LoadFile: File (null) has 11500 rows, expected 0.
DATASETS: There is 1 data set: averageDATAFILE OUTPUT: md0to27: averageWarning: DataFile xxx: Set average contains no data - skipping.Warning: DataFile xxx has no sets containing data - skipping.------------------------------------------------------------------------------------------------------------------
What's wrong with my cpptraj script? Please help to point out my fault input files.
Many thanks,
Catherine
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Received on Wed Oct 17 2012 - 10:30:04 PDT
