X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CONTROL;h=e97c4025ac04a39e53a0f048349a1637ad72a102;hb=3a2758de24121fb0f72bd604e2163b7a4b73a27e;hp=4de96972d71e1f46d6530b71f382131764490612;hpb=17f6ba1f1fcc75e0823f1cfb16fa99c11f606d6d;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CONTROL b/source/unres/src_MD-M/COMMON.CONTROL index 4de9697..e97c402 100644 --- a/source/unres/src_MD-M/COMMON.CONTROL +++ b/source/unres/src_MD-M/COMMON.CONTROL @@ -3,8 +3,8 @@ & 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, @@ -19,6 +19,7 @@ & constr_homology,homol_nset,read2sigma,start_from_model 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