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wham scratch & unres symm
[unres.git]
/
source
/
unres
/
src-HCD-5D
/
energy_p_new_barrier.F
diff --git
a/source/unres/src-HCD-5D/energy_p_new_barrier.F
b/source/unres/src-HCD-5D/energy_p_new_barrier.F
index
6d5b25f
..
6d6a817
100644
(file)
--- a/
source/unres/src-HCD-5D/energy_p_new_barrier.F
+++ b/
source/unres/src-HCD-5D/energy_p_new_barrier.F
@@
-2044,7
+2044,8
@@
c write(iout,*) "PO ZWYKLE", evdwij
if (energy_dec) write (iout,'(a6,2i5,0pf7.3,a3)')
& 'evdw',i,j,evdwij,' ss'
C triple bond artifac removal
if (energy_dec) write (iout,'(a6,2i5,0pf7.3,a3)')
& 'evdw',i,j,evdwij,' ss'
C triple bond artifac removal
- do k=j+1,iend(i,iint)
+c do k=j+1,iend(i,iint)
+ do k=j+1,nct
C search over all next residues
if (dyn_ss_mask(k)) then
C check if they are cysteins
C search over all next residues
if (dyn_ss_mask(k)) then
C check if they are cysteins