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Minor forcerec cleanup
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
tpi.cpp
diff --git
a/src/gromacs/mdrun/tpi.cpp
b/src/gromacs/mdrun/tpi.cpp
index 819532068e54db33e48d006295fb29b4b3d72f83..056cbb29d4c3dbf277f8071ea1f2a39cf7f3b744 100644
(file)
--- a/
src/gromacs/mdrun/tpi.cpp
+++ b/
src/gromacs/mdrun/tpi.cpp
@@
-862,7
+862,7
@@
void LegacySimulator::do_tpi()
/* Determine the weighted energy contributions of each energy group */
e = 0;
sum_UgembU[e++] += epot * embU;
- if (fr->
bBHAM
)
+ if (fr->
haveBuckingham
)
{
for (i = 0; i < ngid; i++)
{