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gfortran foxes in src_CSA/energy_p_new_barrier.F, src_CSA_DiL/energy_p_new_barrier...
[unres.git]
/
source
/
unres
/
src_CSA_DiL
/
readpdb.F
diff --git
a/source/unres/src_CSA_DiL/readpdb.F
b/source/unres/src_CSA_DiL/readpdb.F
index
dacd12d
..
69ec3e1
100644
(file)
--- a/
source/unres/src_CSA_DiL/readpdb.F
+++ b/
source/unres/src_CSA_DiL/readpdb.F
@@
-258,6
+258,9
@@
c endif
enddo
iti=itype(i)
di=dist(i,nres+i)
+C 10/03/12 Adam: Correction for zero SC-SC bond length
+ if (itype(i).ne.10 .and. itype(i).ne.21. and. di.eq.0.0d0)
+ & di=dsc(itype(i))
vbld(i+nres)=di
if (itype(i).ne.10) then
vbld_inv(i+nres)=1.0d0/di