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Fix trjconv -split not closing files
author
Mark Abraham
<mark.j.abraham@gmail.com>
Mon, 6 Oct 2014 17:48:43 +0000
(19:48 +0200)
committer
Mark Abraham
<mark.j.abraham@gmail.com>
Mon, 6 Oct 2014 17:48:43 +0000
(19:48 +0200)
With long trajectories, the number of file handles will run out.
Change-Id: I9f6e20ddb836250431460ff6ed918ec74f2699ee
src/gromacs/gmxana/gmx_trjconv.c
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diff --git
a/src/gromacs/gmxana/gmx_trjconv.c
b/src/gromacs/gmxana/gmx_trjconv.c
index 516bd4050f766b8ab4c9baf2985f6bcefe06b2c4..984c8cc078e5a1d68fdd4c11a2484ec927f7355d 100644
(file)
--- a/
src/gromacs/gmxana/gmx_trjconv.c
+++ b/
src/gromacs/gmxana/gmx_trjconv.c
@@
-1852,7
+1852,7
@@
int gmx_trjconv(int argc, char *argv[])
}
write_g96_conf(out, &frout, -1, NULL);
}
- if (bSeparate)
+ if (bSeparate
|| bSplitHere
)
{
gmx_ffclose(out);
out = NULL;