include "COMMON.SPLITELE"
include "COMMON.SBRIDGE"
include "COMMON.SHIELD"
+ include "COMMON.SAXS"
character*800 controlcard
integer i,j,k,ii,n_ene_found
integer ind,itype1,itype2,itypf,itypsc,itypp
energy_dec=(index(controlcard,'ENERGY_DEC').gt.0)
if (index(controlcard,"CLASSIFY").gt.0) indpdb=1
call reada(controlcard,"DELTA",delta,1.0d-2)
+ call reada(controlcard,"TOLE",tole,1.0d-1)
call readi(controlcard,"EINICHECK",einicheck,2)
call reada(controlcard,"DELTRMS",deltrms,5.0d-2)
call reada(controlcard,"DELTRGY",deltrgy,5.0d-2)
call reada(controlcard,"LAMBDA",rlamb,0.3d0)
call reada(controlcard,"LIPTHICK",lipthick,0.0d0)
call reada(controlcard,"LIPAQBUF",lipbufthick,0.0d0)
+ unres_pdb = index(controlcard,'UNRES_PDB') .gt. 0
if (lipthick.gt.0.0d0) then
bordliptop=(boxzsize+lipthick)/2.0
bordlipbot=bordliptop-lipthick
call readi(controlcard,'CONSTR_DIST',constr_dist,0)
call readi(controlcard,'CONSTR_HOMOL',constr_homology,0)
+c if (constr_homology) tole=dmax1(tole,1.5d0)
write (iout,*) "with_homology_constr ",with_dihed_constr,
& " CONSTR_HOMOLOGY",constr_homology
read_homol_frag = index(controlcard,"READ_HOMOL_FRAG").gt.0
-
+ out_template_coord = index(controlcard,"OUT_TEMPLATE_COORD").gt.0
+ out_template_restr = index(controlcard,"OUT_TEMPLATE_RESTR").gt.0
+ write (iout,*) "out_template_coord ",OUT_TEMPLATE_COORD
+ write (iout,*) "out_template_restr",OUT_TEMPLATE_RESTR
dyn_ss=index(controlcard,"DYN_SS").gt.0
adaptive = index(controlcard,"ADAPTIVE").gt.0
call readi(controlcard,'NSAXS',nsaxs,0)