Properly check for frozen atoms when disabling GPU update

[alexxy/gromacs.git] / src / gromacs / mdtypes / inputrec.h

diff --git a/src/gromacs/mdtypes/inputrec.h b/src/gromacs/mdtypes/inputrec.h
index 7b50eb0b9b07efbc03c3ca6453c99743a9e8fe98..5f97a2e4edbc198be0f9085298ed73439e833e0a 100644 (file)
--- a/src/gromacs/mdtypes/inputrec.h
+++ b/src/gromacs/mdtypes/inputrec.h
@@ -643,6 +643,9 @@ gmx_bool inputrecNphTrotter(const t_inputrec* ir);
 /*! \brief Return true if the simulation is 2D periodic with two walls. */
 bool inputrecPbcXY2Walls(const t_inputrec* ir);
 
+//! \brief Return true if the simulation has frozen atoms (non-trivial freeze groups).
+bool inputrecFrozenAtoms(const t_inputrec* ir);
+
 /*! \brief Returns true for MD integator with T and/or P-coupling that supports
  * calculating a conserved energy quantity.
  *