PLUMED2.10.1 RDC SVD with GSL2.8, compiled with oneAPI2024.2/IntelMPI/MKL. 12constructedindependentbonds;syntheticnoisytargets,NOTexperimentaldata;2nativecalls(original+rigidrotation). NativeSVDtensorandbackcalculatedcouplingsvsindependentnormalizedleast-squares;covariancerotation. SVDonlyanalysis,noforces,noRESTRAINTonSVD,noMD. Read: bash read.sh; bash plot.sh. Recompute: bash submit.sh; CPU56reservation1thread. Allrawinputs/outputspreserved.
