SAXS cutoff correct gradiend and cutoff scaling
[unres.git] / source / unres / src_MD-M / COMMON.CONTROL
1       integer modecalc,iscode,indpdb,indback,indphi,iranconf,icheckgrad,
2      & iprint,i2ndstr,mucadyn,constr_dist,symetr,AFMlog,selfguide,
3      & constr_homology,homol_nset,nsaxs,saxs_mode
4       real*8 waga_homology
5       real*8 waga_dist, waga_angle, waga_theta, waga_d, dist_cut,
6      &  dist2_cut, scal_rad, saxs_cutoff
7       real*8 Psaxs(maxsaxs),distsaxs(maxsaxs),CSAXS(3,maxsaxs)
8       logical minim,refstr,pdbref,outpdb,outmol2,overlapsc,energy_dec,
9      &                 sideadd,lsecondary,read_cart,unres_pdb,
10      &                 vdisulf,searchsc,lmuca,dccart,extconf,out1file,
11      &                 gnorm_check,gradout,split_ene,read2sigma,
12      &                 start_from_model
13       common /cntrl/ modecalc,iscode,indpdb,indback,indphi,iranconf,
14      & icheckgrad,minim,i2ndstr,refstr,pdbref,outpdb,outmol2,iprint,
15      & overlapsc,energy_dec,sideadd,lsecondary,read_cart,unres_pdb
16      & ,vdisulf,searchsc,lmuca,dccart,mucadyn,extconf,out1file,
17      & constr_dist,gnorm_check,gradout,split_ene,symetr,AFMlog,
18      & selfguide,
19      & constr_homology,homol_nset,read2sigma,start_from_model
20       common /homol/ waga_homology(maxprocs/20),
21      & waga_dist, waga_angle, waga_theta, waga_d, dist_cut,dist2_cut
22       common /saxsretr/ Psaxs,distsaxs,csaxs,scal_rad,saxs_cutoff,
23      & nsaxs,saxs_mode
24 C... minim = .true. means DO minimization.
25 C... energy_dec = .true. means print energy decomposition matrix