newest dihed constr added
[unres4.git] / source / unres / io.f90
index 94e6836..a6bda64 100644 (file)
       if (ndih_constr.gt.0) then
         allocate(idih_constr(ndih_constr),idih_nconstr(ndih_constr)) !(maxdih_constr)
         allocate(phi0(ndih_constr),drange(ndih_constr)) !(maxdih_constr)
+        allocate(ftors(ndih_constr)) !(maxdih_constr)
         
-        read (inp,*) ftors
-        read (inp,*) (idih_constr(i),phi0(i),drange(i),i=1,ndih_constr)
+!        read (inp,*) ftors
+        read (inp,*) (idih_constr(i),phi0(i),drange(i),ftors(i), &
+        i=1,ndih_constr)
         if(me.eq.king.or..not.out1file)then
          write (iout,*) &
          'There are',ndih_constr,' constraints on phi angles.'
          do i=1,ndih_constr
-          write (iout,'(i5,2f8.3)') idih_constr(i),phi0(i),drange(i)
+          write (iout,'(i5,3f8.3)') idih_constr(i),phi0(i),drange(i), &
+          ftors(i)
          enddo
         endif
         do i=1,ndih_constr
           phi0(i)=deg2rad*phi0(i)
           drange(i)=deg2rad*drange(i)
         enddo
-        if(me.eq.king.or..not.out1file) &
-         write (iout,*) 'FTORS',ftors
+!        if(me.eq.king.or..not.out1file) &
+!         write (iout,*) 'FTORS',ftors
         do i=1,ndih_constr
           ii = idih_constr(i)
           phibound(1,ii) = phi0(i)-drange(i)