#else
print *,"before xdrf3dcoord"
call xdrf3dfcoord(ixdrf, xoord, itmp, prec, iret)
+ print *,"after xdrf3dcoord", iret
#endif
#ifdef DEBUG
write (iout,'(10f8.3)') ((xoord(j,i),j=1,3),i=1,2*nres+2)
endif
enddo
do j=3,nres
+ mnum=molnum(j)
+ itj=itype(j,mnum)
+ if (itype(j,mnum).eq.ntyp1_molec(mnum)) cycle
+ if (itype(j-1,mnum).eq.ntyp1_molec(mnum)) cycle
+ if (itype(j-2,mnum).eq.ntyp1_molec(mnum)) cycle
if (theta(j).le.0.0d0) then
if (iprint.gt.0) &
write (iout,*) "Zero theta angle(s) in conformation",ii