enddo
enddo
endif
-#define DEBUG
+C#define DEBUG
#ifdef DEBUG
write (iout,'(5hREAD ,i5,3f15.4,i10)')
& jj+1,energy(jj+1),entfac(jj+1),
write (iout,'(8f10.5)') ((c(j,i+nres),j=1,3),i=nnt,nct)
call flush(iout)
#endif
-#undef DEBUG
+C#undef DEBUG
call add_new_cconf(jjj,jj,jj_old,icount,Next)
enddo
101 continue
chalen=int((nct-nnt+2)/symetr)
call int_from_cart1(.false.)
do j=nnt+1,nct
- if (vbld(j).lt.2.0d0 .or. vbld(j).gt.5.0d0) then
+ if ((vbld(j).lt.2.0d0 .or. vbld(j).gt.5.0d0)
+ & .and.(itype(j).ne.ntyp1)) then
if (j.gt.2) then
if (itel(j).ne.0 .and. itel(j-1).ne.0) then
write (iout,*) "Conformation",jjj,jj+1
enddo
do j=nnt,nct
itj=itype(j)
- if (itype(j).ne.10 .and. (vbld(nres+j)-dsc(iabs(itj))).gt.2.0d0)
- & then
+ if (itype(j).ne.10 .and. (vbld(nres+j)-dsc(iabs(itj))).gt.2.0d0
+ & .and. itype(j).ne.ntyp1) then
write (iout,*) "Conformation",jjj,jj+1
write (iout,*) "Bad CA-SC bond length",j," ",vbld(nres+j)
write (iout,*) "The Cartesian geometry is:"
c
c Read conformations off a DA scratchfile.
c
-#define DEBUG
+C#define DEBUG
#ifdef DEBUG
write (iout,*) "DAREAD_COORDS"
write (iout,*) "istart_conf",istart_conf," iend_conf",iend_conf
& jhpb_all(i,ij),i=1,nss)
call flush(iout)
#endif
-#undef DEBUG
+C#undef DEBUG
enddo
write (iout,*) "just before leave"
call flush(iout)