# Structure calculation with RDC data weight_rdc = 0.02 # weight for RDC restraints cut_rdc = 0.2 # cutoff for RDC violation output seed = 274705 # random number generator seed read seq ../rdc.seq read upl final.upl read aco final.aco read rdc peg.rdc ssa #nproc:=8 calc_all structures=100 steps=15000 overview demo.ovw structures=20 pdb