Essential dynamics: fixed restarts when ED group has > 1 molecule

[alexxy/gromacs.git] / include / edsam.h

diff --git a/include/edsam.h b/include/edsam.h
index 80e189c6ff2fceaa95674aef543fa981a1345a96..f78215563d7b8f0ed43ccb01725881135fb713e7 100644 (file)
--- a/include/edsam.h
+++ b/include/edsam.h
@@ -54,7 +54,7 @@ gmx_edsam_t ed_open(int nfile,const t_filenm fnm[],unsigned long Flags,t_commrec
 /* Sets the ED input/output filenames, opens output (.edo) file */
 
 void init_edsam(gmx_mtop_t *mtop,t_inputrec *ir,t_commrec *cr,
-                       gmx_edsam_t ed, rvec x[], matrix box);
+                       gmx_edsam_t ed, rvec x[], matrix box, edsamstate_t *edsamstate);
 /* Init routine for ED and flooding. Calls init_edi in a loop for every .edi-cycle 
  * contained in the input file, creates a NULL terminated list of t_edpar structures */