I ran PCA analysis five times but got the same error. I am using the trajectory.dcd file after completion of MD Simulations of protein_ligand complex and the strcuture file (pdb) is protein(1vr2) file downloaded from Protein Data Bank. Please can anyone solve this problem and help me get PCA results?
What happens if you input dataset 37 for the first input instead?
If that also fails, please capture
- What is written into the dataset info log (pencil icon)
- And, information from the job information view stderr/stdout (āiā icon)
What all three logs report usually helps. How to ā How to get faster help with your question