bugfix przekroczenia granic

[unres.git] / source / wham / src-M / energy_p_new.F

diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F
index f9dbc12..b266ab4 100644 (file)
--- a/source/wham/src-M/energy_p_new.F
+++ b/source/wham/src-M/energy_p_new.F
@@ -2835,7 +2835,9 @@ C Uncomment following three lines for Ca-p interactions
             evdw2_14=evdw2_14+e1+e2
           endif
           evdwij=e1+e2
-c          write (iout,*) i,j,evdwij
+          write (iout,'(a6,2i5,0pf7.3,2i3,3e11.3)')
+     &        'evdw2',i,j,evdwij,iteli,itypj,fac,aad(itypj,iteli),
+     &       bad(itypj,iteli)
           evdw2=evdw2+evdwij
           if (calc_grad) then
 C