Make ImdSession into a Pimpl-ed class with factory function

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / grompp.cpp

diff --git a/src/gromacs/gmxpreprocess/grompp.cpp b/src/gromacs/gmxpreprocess/grompp.cpp
index 29a466d0dae8b8e0a8b45d69760e36c8ba6e0ba6..9da76a8db29d4ac8b5c6b76a1d11bde0c4c8020e 100644 (file)
--- a/src/gromacs/gmxpreprocess/grompp.cpp
+++ b/src/gromacs/gmxpreprocess/grompp.cpp
@@ -2430,7 +2430,7 @@ int gmx_grompp(int argc, char *argv[])
     write_tpx_state(ftp2fn(efTPR, NFILE, fnm), ir, &state, &sys);
 
     /* Output IMD group, if bIMD is TRUE */
-    write_IMDgroup_to_file(ir->bIMD, ir, &state, &sys, NFILE, fnm);
+    gmx::write_IMDgroup_to_file(ir->bIMD, ir, &state, &sys, NFILE, fnm);
 
     sfree(opts->define);
     sfree(opts->include);