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:"