Check q perturbation when PME on GPU is tested

[alexxy/gromacs.git] / src / gromacs / topology / topology.h

diff --git a/src/gromacs/topology/topology.h b/src/gromacs/topology/topology.h
index fda99e34017ed6cc3d3838286e514ee04d62ba16..bb9b844f290fd15ff55bf3da424b4db8db838c3b 100644 (file)
--- a/src/gromacs/topology/topology.h
+++ b/src/gromacs/topology/topology.h
@@ -181,6 +181,7 @@ void done_top_mtop(t_topology *top, gmx_mtop_t *mtop);
 
 bool gmx_mtop_has_masses(const gmx_mtop_t *mtop);
 bool gmx_mtop_has_charges(const gmx_mtop_t *mtop);
+bool gmx_mtop_has_perturbed_charges(const gmx_mtop_t &mtop);
 bool gmx_mtop_has_atomtypes(const gmx_mtop_t *mtop);
 bool gmx_mtop_has_pdbinfo(const gmx_mtop_t *mtop);