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(parent: 5148ccd) | patch
Fix bug removing multiple dihedrals in main rtp entries
authorErik Lindahl <erik@kth.se>
Tue, 23 Jun 2015 20:20:00 +0000 (16:20 -0400)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Mon, 29 Jun 2015 12:34:27 +0000 (14:34 +0200)
commit910e8ed9da1da34c31d822c26d041e8cfa990e83
tree88a2cfadb907d66c6d0e6f29bee050b442af6054tree | snapshot
parent5148ccdcc6dc76fa0d10e1fd9c6797be53c553e2commit | diff
Fix bug removing multiple dihedrals in main rtp entries

The Gromacs-5.0 series has had a serious bug where pdb2gmx
would only consider the first entry when several explicit
bonds were listed for the same atoms in an RTP entry. Older
topologies have worked fine.

Fixes #1704, #1755.

Change-Id: I0b34aeb905dab8ea66196cabc0745583ef6d7209
src/gromacs/gmxpreprocess/hackblock.c diff | blob | history
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