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(parent: 2f99f9a) | patch
Fix duplicate CONNECT records in pdb files
authorChristian Blau <cblau@gwdg.de>
Mon, 25 Nov 2019 15:18:40 +0000 (16:18 +0100)
committerPaul Bauer <paul.bauer.q@gmail.com>
Mon, 25 Nov 2019 19:10:18 +0000 (20:10 +0100)
commit7d142404a0f41e9814e638fb87017dced1818bfb
treebeb44bc1589fb7c22696bb98f6cb126db48a620ftree | snapshot
parent2f99f9a6c4221534354f9d7a3c8df374e183f252commit | diff
Fix duplicate CONNECT records in pdb files

When adding connect records in pdb files, it was not checked if records
already existed and were thus duplicated in output. This patch fixes
this behavior.

Fix originally provided by Boris Timofeev.

refs #3206

Change-Id: I5850f4b6279b37df07282acc4416f433099d90c8
docs/release-notes/2019/2019.5.rst diff | blob | history
src/gromacs/fileio/pdbio.cpp diff | blob | history
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