call readi(controlcard,'CONSTR_HOMOL',constr_homology,0)
write (iout,*) "with_homology_constr ",with_dihed_constr,
& " CONSTR_HOMOLOGY",constr_homology
+ read_homol_frag = index(controlcard,"READ_HOMOL_FRAG").gt.0
refstr = index(controlcard,'REFSTR').gt.0
pdbref = index(controlcard,'PDBREF').gt.0
dyn_ss=(index(controlcard,'DYN_SS').gt.0)
call readi(controlcard,'NSAXS',nsaxs,0)
call readi(controlcard,'SAXS_MODE',saxs_mode,0)
call reada(controlcard,'SCAL_RAD',scal_rad,1.0d0)
+ call reada(controlcard,'SAXS_CUTOFF',saxs_cutoff,1.0d0)
write (iout,*) "Number of SAXS restraints",NSAXS," SAXS_MODE",
- & SAXS_MODE," SCAL_RAD",scal_rad
+ & SAXS_MODE," SCAL_RAD",scal_rad,"SAXS_CUTOFF",saxs_cutoff
C /06/28/2013 Adasko: dyn_ss is keyword allowing to break and create bond
C disulfide bond. Note that in conterary to dynamics this in
C CONTROLCARD. The bond are read in molread_zs.F