Enable grompp to read virtual_site1

[alexxy/gromacs.git] / src / gromacs / topology / idef.cpp

diff --git a/src/gromacs/topology/idef.cpp b/src/gromacs/topology/idef.cpp
index a82e6e5754bbb112fe7d8f2fab1953dd5827c9df..03b0989476701c49570f54ca635d677a96bccceb 100644 (file)
--- a/src/gromacs/topology/idef.cpp
+++ b/src/gromacs/topology/idef.cpp
@@ -4,7 +4,7 @@
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
  * Copyright (c) 2013,2014,2015,2016,2018 by the GROMACS development team.
- * Copyright (c) 2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020,2021, 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.
@@ -272,6 +272,7 @@ void printInteractionParameters(gmx::TextWriter* writer, t_functype ftype, const
         case F_SETTLE:
             writer->writeLineFormatted("doh=%15.8e, dhh=%15.8e", iparams.settle.doh, iparams.settle.dhh);
             break;
+        case F_VSITE1: writer->ensureEmptyLine(); break;
         case F_VSITE2: writer->writeLineFormatted("a=%15.8e", iparams.vsite.a); break;
         case F_VSITE3:
         case F_VSITE3FD: