X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CONTROL;h=82354b7605aa27728ed8c2da61f1da1ca1c8f4b6;hb=83a668a2587e4624d860c7d1de07dd1634b92f54;hp=4de96972d71e1f46d6530b71f382131764490612;hpb=8a229347c2999ab38c8d3e8c5c6e5e42a17d04c3;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CONTROL b/source/unres/src_MD-M/COMMON.CONTROL index 4de9697..82354b7 100644 --- a/source/unres/src_MD-M/COMMON.CONTROL +++ b/source/unres/src_MD-M/COMMON.CONTROL @@ -3,22 +3,24 @@ & constr_homology,homol_nset,nsaxs,saxs_mode real*8 waga_homology real*8 waga_dist, waga_angle, waga_theta, waga_d, dist_cut, - & dist2_cut, scal_rad - real*8 Psaxs(maxsaxs),distsaxs(maxsaxs),CSAXS(3,maxsaxs) + & dist2_cut, scal_rad, saxs_cutoff + real*8 Psaxs(maxsaxs),distsaxs(maxsaxs),CSAXS(3,maxsaxs),wsaxs0 logical minim,refstr,pdbref,outpdb,outmol2,overlapsc,energy_dec, & sideadd,lsecondary,read_cart,unres_pdb, & vdisulf,searchsc,lmuca,dccart,extconf,out1file, & gnorm_check,gradout,split_ene,read2sigma, - & start_from_model + & start_from_model,read_homol_frag common /cntrl/ modecalc,iscode,indpdb,indback,indphi,iranconf, & icheckgrad,minim,i2ndstr,refstr,pdbref,outpdb,outmol2,iprint, & overlapsc,energy_dec,sideadd,lsecondary,read_cart,unres_pdb & ,vdisulf,searchsc,lmuca,dccart,mucadyn,extconf,out1file, & constr_dist,gnorm_check,gradout,split_ene,symetr,AFMlog, & selfguide, - & constr_homology,homol_nset,read2sigma,start_from_model + & constr_homology,homol_nset,read2sigma,start_from_model, + & read_homol_frag common /homol/ waga_homology(maxprocs/20), & waga_dist, waga_angle, waga_theta, waga_d, dist_cut,dist2_cut - common /saxsretr/ Psaxs,distsaxs,csaxs,scal_rad,nsaxs,saxs_mode + common /saxsretr/Psaxs,distsaxs,csaxs,Wsaxs0,scal_rad,saxs_cutoff, + & nsaxs,saxs_mode C... minim = .true. means DO minimization. C... energy_dec = .true. means print energy decomposition matrix