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
Refactor t_pindex
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
resall.cpp
diff --git
a/src/gromacs/gmxpreprocess/resall.cpp
b/src/gromacs/gmxpreprocess/resall.cpp
index 1da6d137ea5fd17d11d47f1c05effa6c5fe5c4cc..60df05b6fb06a918a1e3fcefe192190f6458c1f3 100644
(file)
--- a/
src/gromacs/gmxpreprocess/resall.cpp
+++ b/
src/gromacs/gmxpreprocess/resall.cpp
@@
-92,7
+92,7
@@
PreprocessingAtomTypes read_atype(const char *ffdir, t_symtab *tab)
if (sscanf(buf, "%s%lf", name, &m) == 2)
{
a->m = m;
- at.addType(tab, *a, name, InteractionType({}, {}), 0, 0);
+ at.addType(tab, *a, name, Interaction
Of
Type({}, {}), 0, 0);
fprintf(stderr, "\rAtomtype %d", ++nratt);
fflush(stderr);
}