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correction in multichain
[unres.git]
/
source
/
unres
/
src_MD-M
/
energy_p_new_barrier.F
diff --git
a/source/unres/src_MD-M/energy_p_new_barrier.F
b/source/unres/src_MD-M/energy_p_new_barrier.F
index
8c0706c
..
e97e78f
100644
(file)
--- a/
source/unres/src_MD-M/energy_p_new_barrier.F
+++ b/
source/unres/src_MD-M/energy_p_new_barrier.F
@@
-1663,6
+1663,7
@@
C Calculate the radial part of the gradient
gg(3)=zj*fac
C Calculate angular part of the gradient.
call sc_grad
+ endif ! sss
ENDIF ! dyn_ss
enddo ! j
enddo ! iint
@@
-4922,6
+4923,7
@@
cgrad enddo
ghpbc(k,iii)=ghpbc(k,iii)-ggg(k)
enddo
endif
+ endif
enddo
ehpb=0.5D0*ehpb
return