PLUMED2.10.1 three native spectroscopy observables on32constructedfourparticlegeometries, notphysicalMD or measuredprotein.
bash read.sh; bash plot.sh; bash submit.sh for new native computations using Slurm CPU56reservation/1thread.
FRET R0=.3nm; RDC(-72.5388,.001) fixedzaxis,noSVDorreplicaaverage; CUSTOMKarplus(A6.4,B-1.4,C1.9,SHIFT.3rad). Full384biasforcecomponents independentlychecked bytwo centralFD steps.
