diff --git a/pygmx/xtcio.pyx b/pygmx/xtcio.pyx index 408db88..aa21a8c 100755 --- a/pygmx/xtcio.pyx +++ b/pygmx/xtcio.pyx @@ -284,6 +284,8 @@ def append_xtcfile(filename, step, time, box, coords, prec): cdef t_fileio *fio = open_xtc(filename, b'a') write_xtc(fio, len(coords), step, time, b.data, x.data, prec) + close_xtc(fio) + \ No newline at end of file