Mark advanced variables/options that are not relevant for the OpenMM build
[gromacs/rigid-bodies.git] / include / topsort.h
blob9b11a9f8d68792535692649183780e579499773c
1 #ifndef _topsort_h
2 #define _topsort_h
5 #include "typedefs.h"
7 #ifdef __cplusplus
8 extern "C" {
9 #endif
12 /* Returns if the are bonded interactions for free energy calculations */
13 gmx_bool gmx_mtop_bondeds_free_energy(const gmx_mtop_t *mtop);
15 /* Sort all the bonded ilists in idef to have the perturbed ones at the end
16 * and set nr_nr_nonperturbed in ilist.
18 void gmx_sort_ilist_fe(t_idef *idef,const real *qA,const real *qB);
20 #ifdef __cplusplus
22 #endif
24 #endif