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modyfication for tube
[unres.git]
/
source
/
wham
/
src-M
/
read_dist_constr.F
diff --git
a/source/wham/src-M/read_dist_constr.F
b/source/wham/src-M/read_dist_constr.F
index
a97f797
..
27fe63a
100644
(file)
--- a/
source/wham/src-M/read_dist_constr.F
+++ b/
source/wham/src-M/read_dist_constr.F
@@
-110,7
+110,13
@@
C & nhpb,ihpb(nhpb),jhpb(nhpb),dhpb(nhpb),forcon(nhpb)
endif
if (forcon(nhpb+1).gt.0.0d0) then
nhpb=nhpb+1
endif
if (forcon(nhpb+1).gt.0.0d0) then
nhpb=nhpb+1
- dhpb(nhpb)=dist(ihpb(nhpb),jhpb(nhpb))
+ if (ibecarb(i).gt.0) then
+ ihpb(i)=ihpb(i)+nres
+ jhpb(i)=jhpb(i)+nres
+ endif
+ if (dhpb(nhpb).eq.0.0d0)
+ & dhpb(nhpb)=dist(ihpb(nhpb),jhpb(nhpb))
+C dhpb(nhpb)=dist(ihpb(nhpb),jhpb(nhpb))
write (iout,'(a,3i5,f8.2,f10.1)') "+dist.constr ",
& nhpb,ihpb(nhpb),jhpb(nhpb),dhpb(nhpb),forcon(nhpb)
endif
write (iout,'(a,3i5,f8.2,f10.1)') "+dist.constr ",
& nhpb,ihpb(nhpb),jhpb(nhpb),dhpb(nhpb),forcon(nhpb)
endif