# Structure calculation with RDC data weight_rdc = 0.02 # weight for RDC restraints cut_rdc = 0.2 # cutoff for RDC violation output seed = 434726 # random number generator seed read seq ../rdc.seq read upl final.upl read aco final.aco read aco talos.aco append read rdc peg_pha.rdc #ssa finalstereo #nproc:=8 cut_upl=0.1 cut_lol=cut_upl viocap=1.0E20 swap=0 #restraints :=finalstereo.cya,final.upl,final.aco,peg_pha.rdc calc_all structures=100 steps=15000 overview demo.ovw structures=40 pdb detail