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Convert gmx_mtop_t to C++
[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 3132b67322ff0f013df58dcf66ed30849d39e581..77de9a322276b520d18fd9f480a8495f9fab2745 100644
(file)
--- a/
src/gromacs/gmxana/gmx_energy.cpp
+++ b/
src/gromacs/gmxana/gmx_energy.cpp
@@
-312,7
+312,6
@@
static void get_dhdl_parms(const char *topnm, t_inputrec *ir)
/* all we need is the ir to be able to write the label */
read_tpx(topnm, ir, box, &natoms, nullptr, nullptr, &mtop);
- done_mtop(&mtop);
}
static void einstein_visco(const char *fn, const char *fni, int nsets,