call reada(controlcard,"DELTA",delta,1.0d-2)
call readi(controlcard,"EINICHECK",einicheck,2)
call reada(controlcard,"DELTRMS",deltrms,5.0d-2)
+ call readi(controlcard,"NGRIDT",NGridT,400)
+ call reada(controlcard,"STARTGRIDT",StartGridT,200.0d0)
+ call reada(controlcard,"DELTA_T",Delta_T,1.0d0)
call reada(controlcard,"DELTRGY",deltrgy,5.0d-2)
call readi(controlcard,"RESCALE",rescale_mode,1)
check_conf=index(controlcard,"NO_CHECK_CONF").eq.0
entfile=index(controlcard,"ENTFILE").gt.0
zscfile=index(controlcard,"ZSCFILE").gt.0
with_dihed_constr = index(controlcard,"WITH_DIHED_CONSTR").gt.0
- write (iout,*) "with_dihed_constr ",with_dihed_constr
+ call readi(controlcard,'CONSTR_DIST',constr_dist,0)
+ write (iout,*) "with_dihed_constr ",with_dihed_constr,
+ & " CONSTR_DIST",constr_dist
+ refstr = index(controlcard,'REFSTR').gt.0
+ pdbref = index(controlcard,'PDBREF').gt.0
+ call flush(iout)
return
end
c------------------------------------------------------------------------------