Add tests for gmx chi

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

diff --git a/src/gromacs/fileio/trxio.cpp b/src/gromacs/fileio/trxio.cpp
index e731f427718f85868ce62697acd0fc9567b0e078..c653e301a8f300e17479a2d8940d421598a4feea 100644 (file)
--- a/src/gromacs/fileio/trxio.cpp
+++ b/src/gromacs/fileio/trxio.cpp
@@ -651,6 +651,12 @@ void close_trx(t_trxstatus* status)
     sfree(status);
 }
 
+void done_trx_xframe(t_trxstatus* status)
+{
+    done_frame(status->xframe);
+    sfree(status->xframe);
+}
+
 t_trxstatus* open_trx(const char* outfile, const char* filemode)
 {
     t_trxstatus* stat;