--- trunk/OOPSE/libmdtools/calc_gb.F90	2003/04/04 22:22:30	460
+++ trunk/OOPSE/libmdtools/calc_gb.F90	2003/04/09 04:06:43	483
@@ -352,16 +352,18 @@ contains
 #endif
     
     if (do_stress) then          
-       tau_Temp(1) = tau_Temp(1) + dUdx * d(1)
-       tau_Temp(2) = tau_Temp(2) + dUdx * d(2)
-       tau_Temp(3) = tau_Temp(3) + dUdx * d(3)
-       tau_Temp(4) = tau_Temp(4) + dUdy * d(1)
-       tau_Temp(5) = tau_Temp(5) + dUdy * d(2)
-       tau_Temp(6) = tau_Temp(6) + dUdy * d(3)
-       tau_Temp(7) = tau_Temp(7) + dUdz * d(1)
-       tau_Temp(8) = tau_Temp(8) + dUdz * d(2)
-       tau_Temp(9) = tau_Temp(9) + dUdz * d(3)
-       virial_Temp = virial_Temp + (tau_Temp(1) + tau_Temp(5) + tau_Temp(9))
+       if (molMembershipList(atom1) .ne. molMembershipList(atom2)) then
+          tau_Temp(1) = tau_Temp(1) + dUdx * d(1)
+          tau_Temp(2) = tau_Temp(2) + dUdx * d(2)
+          tau_Temp(3) = tau_Temp(3) + dUdx * d(3)
+          tau_Temp(4) = tau_Temp(4) + dUdy * d(1)
+          tau_Temp(5) = tau_Temp(5) + dUdy * d(2)
+          tau_Temp(6) = tau_Temp(6) + dUdy * d(3)
+          tau_Temp(7) = tau_Temp(7) + dUdz * d(1)
+          tau_Temp(8) = tau_Temp(8) + dUdz * d(2)
+          tau_Temp(9) = tau_Temp(9) + dUdz * d(3)
+          virial_Temp = virial_Temp + (tau_Temp(1) + tau_Temp(5) + tau_Temp(9))
+       endif
     endif
         
     if (do_pot) then