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(parent: b70481d) | patch
Fix pdb2gmx -chainsep
authorJoe Jordan <e.jjordan12@gmail.com>
Tue, 7 Aug 2018 13:13:18 +0000 (15:13 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 22 Aug 2018 11:34:03 +0000 (13:34 +0200)
commit4ad3d382ad4e45961e1105254208f6e54008deeb
treecb68b3278c82b54b0dfbc8beeb04984a8a9696bdtree | snapshot
parentb70481d1db00f439fad18914b2d0a681c595c040commit | diff
Fix pdb2gmx -chainsep

Fixes #2577

This patch makes readConfAndAtoms public and has pdb2gmx call it
directly. Previously pdb2gmx called readConfAndTopology, which
then called readConfAndAtoms and then tpx_make_chain_identifiers,
the latter of which is suspected of being broken, as documented
in the TODO added here.

Change-Id: I1b47e1743f6accf77ae67d232eb2c815edcff970
src/gromacs/fileio/confio.cpp diff | blob | history
src/gromacs/fileio/confio.h diff | blob | history
src/gromacs/gmxpreprocess/pdb2gmx.cpp diff | blob | history
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