endif
endif
-
+ if (with_theta_constr) then
+C with_theta_constr is keyword allowing for occurance of theta constrains
+ read (inp,*) ntheta_constr
+C ntheta_constr is the number of theta constrains
+ if (ntheta_constr.gt.0) then
+C read (inp,*) ftors
+ read (inp,*) (itheta_constr(i),theta_constr0(i),
+ & theta_drange(i),for_thet_constr(i),
+ & i=1,ntheta_constr)
+C the above code reads from 1 to ntheta_constr
+C itheta_constr(i) residue i for which is theta_constr
+C theta_constr0 the global minimum value
+C theta_drange is range for which there is no energy penalty
+C for_thet_constr is the force constant for quartic energy penalty
+C E=k*x**4
+C if(me.eq.king.or..not.out1file)then
+ write (iout,*)
+ & 'There are',ntheta_constr,' constraints on phi angles.'
+ do i=1,ntheta_constr
+ write (iout,'(i5,3f8.3)') itheta_constr(i),theta_constr0(i),
+ & theta_drange(i),
+ & for_thet_constr(i)
+ enddo
+C endif
+ do i=1,ntheta_constr
+ theta_constr0(i)=deg2rad*theta_constr0(i)
+ theta_drange(i)=deg2rad*theta_drange(i)
+ enddo
+C if(me.eq.king.or..not.out1file)
+C & write (iout,*) 'FTORS',ftors
+C do i=1,ntheta_constr
+C ii = itheta_constr(i)
+C thetabound(1,ii) = phi0(i)-drange(i)
+C thetabound(2,ii) = phi0(i)+drange(i)
+C enddo
+ endif ! ntheta_constr.gt.0
+ endif! with_theta_constr
nnt=1
nct=nres
if (itype(1).eq.ntyp1) nnt=2