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clean fix revert to previous vestion
[unres.git]
/
source
/
wham
/
src-M
/
rmscalc.f
diff --git
a/source/wham/src-M/rmscalc.f
b/source/wham/src-M/rmscalc.f
index
eecf900
..
638fd81
100644
(file)
--- 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
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,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
if (itype(i).ne.ntyp1) then
nnsup=nnsup+1
do j=1,3