pytraj.pca error
gayatripanda5 opened this issue · 1 comments
gayatripanda5 commented
I am geeting this error "Error: DataSet_Modes: dsaupd returned -9999" while running pytraj.pca for my trajectory. Kindly look into this issue.
hainm commented
Dear @gayatripanda5: do you get the error if trying with a small chunk of trajectory?