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Merge branch release-2021 into merge-2021-into-master
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
stat.cpp
diff --git
a/src/gromacs/mdlib/stat.cpp
b/src/gromacs/mdlib/stat.cpp
index 5283f17fce8d7ef70db4e53c3581a2936fa7c8d4..7bfdc6eebed13b327e9af3436c84b1f1320c24b1 100644
(file)
--- a/
src/gromacs/mdlib/stat.cpp
+++ b/
src/gromacs/mdlib/stat.cpp
@@
-123,6
+123,11
@@
static int filter_enerdterm(const real* afrom, gmx_bool bToBuffer, real* ato, gm
ato[to++] = afrom[from++];
}
break;
+ case F_ETOT:
+ case F_ECONSERVED:
+ // Don't reduce total and conserved energy
+ // because they are computed later (see #4301)
+ break;
default:
if (bEner)
{