Free-energy now works with the Verlet scheme

[alexxy/gromacs.git] / src / gromacs / legacyheaders / ns.h

diff --git a/src/gromacs/legacyheaders/ns.h b/src/gromacs/legacyheaders/ns.h
index 7c65628aa36fb216725444d0e7bb5bd9c6cdcb07..dafbfa9f6e7fe64e68da0df51d58d87663095ede 100644 (file)
--- a/src/gromacs/legacyheaders/ns.h
+++ b/src/gromacs/legacyheaders/ns.h
@@ -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.
@@ -100,6 +100,9 @@ int natoms_beyond_ns_buffer(t_inputrec *ir, t_forcerec *fr, t_block *cgs,
                             matrix scale_tot, rvec *x);
 /* Returns the number of atoms that moved beyond the ns buffer */
 
+void reallocate_nblist(t_nblist *nl);
+/* List reallocation, only exported for Verlet scheme use with FEP */
+
 #ifdef __cplusplus
 }
 #endif