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correction to the last commit - cleaning of homo restraints
[unres.git]
/
source
/
wham
/
src-M
/
molread_zs.F
diff --git
a/source/wham/src-M/molread_zs.F
b/source/wham/src-M/molread_zs.F
index
808ee72
..
8cf7f64
100644
(file)
--- a/
source/wham/src-M/molread_zs.F
+++ b/
source/wham/src-M/molread_zs.F
@@
-696,8
+696,13
@@
c
liiflag=.false.
iistart=ii
endif
liiflag=.false.
iistart=ii
endif
- if (ii_in_use(ii).ne.0.and..not.liiflag) then
- iishift=ii-iistart
+ if (ii_in_use(ii).ne.0.and..not.liiflag.or.
+ & .not.liiflag.and.ii.eq.lim_odl) then
+ if (ii.eq.lim_odl) then
+ iishift=ii-iistart+1
+ else
+ iishift=ii-iistart
+ endif
liiflag=.true.
do ki=iistart,lim_odl-iishift
ires_homo(ki)=ires_homo(ki+iishift)
liiflag=.true.
do ki=iistart,lim_odl-iishift
ires_homo(ki)=ires_homo(ki+iishift)