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
Merge branch release-2018
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
mdatoms.cpp
diff --git
a/src/gromacs/mdlib/mdatoms.cpp
b/src/gromacs/mdlib/mdatoms.cpp
index ec11dd096380787a7670b32e7e99802bd20c5942..15ab8e4f20b3e72dc162b3db5a914566acfc8a68 100644
(file)
--- a/
src/gromacs/mdlib/mdatoms.cpp
+++ b/
src/gromacs/mdlib/mdatoms.cpp
@@
-182,7
+182,7
@@
makeMDAtoms(FILE *fp, const gmx_mtop_t &mtop, const t_inputrec &ir,
{
for (int d = YY; d < DIM; d++)
{
- if (ir.opts.nFreeze[
d] != ir.opts.nFreeze
[XX])
+ if (ir.opts.nFreeze[
g][d] != ir.opts.nFreeze[g]
[XX])
{
md->havePartiallyFrozenAtoms = TRUE;
}