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Modernize atom enums
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
dump.cpp
diff --git
a/src/gromacs/domdec/dump.cpp
b/src/gromacs/domdec/dump.cpp
index be9f0c77db34b8a949622960938ec26a1694af12..7a7324cd4ab68f4ea86d63f4cbae00c24a7b0475 100644
(file)
--- a/
src/gromacs/domdec/dump.cpp
+++ b/
src/gromacs/domdec/dump.cpp
@@
-120,7
+120,7
@@
void write_dd_grid_pdb(const char* fn, int64_t step, gmx_domdec_t* dd, matrix bo
cx[ZZ] = grid_r[i * 2 + z][ZZ];
mvmul(tric, cx, r);
gmx_fprintf_pdb_atomline(out,
-
epdbATOM
,
+
PdbRecordType::Atom
,
a++,
"CA",
' ',
@@
-208,7
+208,7
@@
void write_dd_pdb(const char* fn,
b = dd->comm->zones.n + 1;
}
gmx_fprintf_pdb_atomline(out,
-
epdbATOM
,
+
PdbRecordType::Atom
,
ii + 1,
atomname,
' ',