biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
| inline |
side by side
Make non bonded energy terms enum class
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxana
/
gmx_energy.cpp
diff --git
a/src/gromacs/gmxana/gmx_energy.cpp
b/src/gromacs/gmxana/gmx_energy.cpp
index b13a137695a5c90de5b663b0df87a74e04b5edef..ebd5f5a3f4a14ffd72db5b9176a5d8e6224f2545 100644
(file)
--- a/
src/gromacs/gmxana/gmx_energy.cpp
+++ b/
src/gromacs/gmxana/gmx_energy.cpp
@@
-1248,7
+1248,7
@@
static void analyse_ener(gmx_bool bCorr,
#if 0
do_autocorr(corrfn, oenv, buf, edat->nframes,
bSum ? 1 : nset,
- bSum ? &edat->s[nset-1].ener : eneset,
+ bSum ? &edat->s[nset-1].ener
gyGroupPairTerms
: eneset,
(delta_t/edat->nframes), eacNormal, FALSE);
#endif
}