Fix pairs_nb not recognized as part of moleculetype
authorMark Abraham <mark.j.abraham@gmail.com>
Thu, 28 May 2015 14:15:29 +0000 (16:15 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 16 Jun 2015 09:07:19 +0000 (11:07 +0200)
Old code gives "unknown directive" error from the default of the
switch statement.

Fixes #1749

Change-Id: I54977f76f82cfdbfd4a7070129aa365d4fe5e188

src/gromacs/gmxpreprocess/topio.c

index 00addd94532138dce23061c1826a464a478e8eca..8db392518f3a0dd2ac6b83feee709e7f00e6125f 100644 (file)
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015, 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.
@@ -889,6 +889,10 @@ static char **read_topol(const char *infile, const char *outfile,
                             push_bond(d, plist, mi0->plist, &(mi0->atoms), atype, pline, FALSE,
                                       bGenPairs, *fudgeQQ, bZero, &bWarn_copy_A_B, wi);
                             break;
+                        case d_pairs_nb:
+                            push_bond(d, plist, mi0->plist, &(mi0->atoms), atype, pline, FALSE,
+                                      FALSE, 1.0, bZero, &bWarn_copy_A_B, wi);
+                            break;
 
                         case d_vsites2:
                         case d_vsites3: