Added QM input file name as command-line parameter for grompp

[alexxy/gromacs.git] / src / gromacs / fileio / filetypes.cpp

diff --git a/src/gromacs/fileio/filetypes.cpp b/src/gromacs/fileio/filetypes.cpp
index b3e9be6d201dba4c8f7e8e3e8eb8b9c68abfb72d..0821908cd806abd71db07052ece4a5e8c83ce504 100644 (file)
--- a/src/gromacs/fileio/filetypes.cpp
+++ b/src/gromacs/fileio/filetypes.cpp
@@ -4,7 +4,7 @@
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
  * Copyright (c) 2013,2014,2015,2016,2017 by the GROMACS development team.
- * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020,2021, 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.
@@ -144,7 +144,8 @@ static const t_deffile deffile[efNR] = {
     { eftASC, ".cub", "pot", nullptr, "Gaussian cube file" },
     { eftASC, ".xpm", "root", nullptr, "X PixMap compatible matrix file" },
     { eftASC, "", "rundir", nullptr, "Run directory" },
-    { eftASC, ".csv", "bench", nullptr, "CSV data file" }
+    { eftASC, ".csv", "bench", nullptr, "CSV data file" },
+    { eftASC, ".inp", "topol-qmmm", nullptr, "Input file for QM program" }
 };
 
 const char* ftp2ext(int ftp)