rminrms=10.0d10
rmsminsing=10d10
nperm=1
+C write (iout,*) "tu2", nres,nsup
+ noverlap=nres
+ if (nres.gt.nsup) noverlap=nsup
+ write (iout,*) "tu3,",noverlap
do i=1,symetr
nperm=nperm*i
enddo
do kkk=1,nperm
nnsup=0
- do i=1,nres
+ do i=1,noverlap
if (itype(i).ne.ntyp1) then
nnsup=nnsup+1
do j=1,3