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cleaning water
[unres4.git]
/
source
/
unres
/
control.F90
diff --git
a/source/unres/control.F90
b/source/unres/control.F90
index
516a8d7
..
e469077
100644
(file)
--- a/
source/unres/control.F90
+++ b/
source/unres/control.F90
@@
-1164,6
+1164,17
@@
jgrad_start(i)=i+1
jgrad_end(i)=nres
enddo
jgrad_start(i)=i+1
jgrad_end(i)=nres
enddo
+! THIS SHOULD BE FIXED
+ itmp=0
+ do i=1,4
+ itmp=itmp+nres_molec(i)
+ enddo
+ call int_bounds(nres_molec(5),icatb_start,icatb_end)
+ icatb_start=icatb_start+itmp
+ icatb_end=icatb_end+itmp
+
+
+
if (lprint) then
write (*,*) 'Processor:',fg_rank,' CG group',kolor,&
' absolute rank',myrank,&
if (lprint) then
write (*,*) 'Processor:',fg_rank,' CG group',kolor,&
' absolute rank',myrank,&