call int_from_cart1(.false.)
do j=nnt+1,nct
mnum=molnum(j)
+ if (mnum.ne.1) cycle
if (mnum.eq.5) cycle
if (itype(j-1,mnum).ne.ntyp1 .and. itype(j,mnum).ne.ntyp1_molec(mnum) .and. &
(vbld(j).lt.2.0d0 .or. vbld(j).gt.5.0d0)) then
if (iprint.gt.0) &
write (iout,*) "Bad CA-CA bond length",j," ",vbld(j),&
- " for conformation",ii
+ " for conformation",ii,mnum
if (iprint.gt.1) then
write (iout,*) "The Cartesian geometry is:"
write (iout,'(8f10.5)') ((c(l,k),l=1,3),k=1,nres)
enddo
do j=nnt,nct
mnum=molnum(j)
- if (mnum.eq.5) cycle
+ if (mnum.ne.1) cycle
itj=itype(j,mnum)
if (itype(j,mnum).ne.10 .and.itype(j,mnum).ne.ntyp1_molec(mnum) .and. &
(vbld(nres+j)-dsc(iabs(itj))).gt.2.0d0) then