Allow for "computational electrophysiology" simulations (CompEl)

[alexxy/gromacs.git] / src / gromacs / mdlib / init.c

diff --git a/src/gromacs/mdlib/init.c b/src/gromacs/mdlib/init.c
index a769362b1f467c0f868bc1192a656e69e1e19761..f34326b069a21f6875c7b7880ef608fc547c5454 100644 (file)
--- a/src/gromacs/mdlib/init.c
+++ b/src/gromacs/mdlib/init.c
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -182,6 +182,7 @@ void set_state_entries(t_state *state, const t_inputrec *ir, int nnodes)
 
     init_energyhistory(&state->enerhist);
     init_df_history(&state->dfhist, ir->fepvals->n_lambda);
+    state->swapstate.eSwapCoords = ir->eSwapCoords;
 }