From ac83c85a9943c8215382652655d32af0bca94b7a Mon Sep 17 00:00:00 2001 From: Magnus Lundborg Date: Fri, 24 Oct 2014 10:24:22 +0200 Subject: [PATCH] When writing TNG the input must contain molecule data. When using trjcat to write TNG the input must also be TNG since no tpr file is used. Fixes #1626 Change-Id: I060e0174f9a471e134a4a899f83afaf02f4fce00 --- src/gromacs/gmxana/gmx_trjcat.c | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/src/gromacs/gmxana/gmx_trjcat.c b/src/gromacs/gmxana/gmx_trjcat.c index 629f221d0b..0e905041ce 100644 --- a/src/gromacs/gmxana/gmx_trjcat.c +++ b/src/gromacs/gmxana/gmx_trjcat.c @@ -651,6 +651,10 @@ int gmx_trjcat(int argc, char *argv[]) { if (ftpout == efTNG) { + if (ftpout != ftpin) + { + gmx_fatal(FARGS, "When writing TNG the input file format must also be TNG"); + } if (bIndex) { trjtools_gmx_prepare_tng_writing(out_file, 'w', NULL, &trxout, -- 2.22.0