X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Frmscalc.f;h=638fd817ef165a1b3ae7769480b90d4c75549731;hb=3e546379756d1da3e7f8b6647ef4d3d90e4f1dc0;hp=eecf900dbd35ad90358027d261b76cc6e0fe685d;hpb=2517f3668fa32040ebac880a68b6bf73daafb373;p=unres.git

diff --git a/source/wham/src-M/rmscalc.f b/source/wham/src-M/rmscalc.f
index eecf900..638fd81 100644
--- a/source/wham/src-M/rmscalc.f
+++ b/source/wham/src-M/rmscalc.f
@@ -155,12 +155,16 @@ c-------------------------------------------------------------------------
       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