PLUMED2.10.1 MPI2replica ENSEMBLE driver32pairedconstructed4pointframes. DirectRDC/FRETaverages,secondraw/centralmoment,power,andpositivebiasREWEIGHT. Weightpotential30*(d-.25)^2is constructed input,NOTrealbiasedsamplingtrajectory. OnlymeanFRETrestraintappliesforces;full768forcecomponentsvsindependentFDofoneglobalfunction,notdoublesumofidenticalreplicaoutputlines. NoactualMD/protein/experimentalNMR. CPU56reservation,2MPI1threadeach,oneMPIrankperreplica. Readbashread.sh/plot.sh;recomputebashsubmit.sh. Inputsuffixedscan.0.xyz/scan.1.xyz;nativeCOLVAR.0/.1,forces.xyz.0/.1. CompilerenvironmentoneAPI2024.2MPI/MKL+GSL2.8.
