Fix pdb-related issues
authorBerk Hess <hess@kth.se>
Sat, 13 Apr 2019 10:00:06 +0000 (12:00 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Mon, 15 Apr 2019 14:48:54 +0000 (16:48 +0200)
commit697311213dc913d4cf7699f379308186dca93cc9
treeb8892ed37cc7e0110f5b41a1f966a2555f091a98
parent793d62664be7f359507f381a90749af7cda0ef8c
Fix pdb-related issues

In editconf, if a PDB input was read, chain IDs are known, and should
be written if the output is also PDB. This now works again, after
being broken in commit 8dd3c9ae88004054b3.

This required adding missing tpr support to readConfAndAtoms(), which
also fixes that pdb2gmx, insert-molecules, and solvate could not read
tpr files. Those are the only tools that directly or indirectly called
readConfAndAtoms with a .tpr file.

Fixes #2900

Change-Id: I883777be945023a7e69260b22e76df54477828ee
docs/release-notes/2019/2019.2.rst
src/gromacs/fileio/confio.cpp
src/gromacs/gmxana/gmx_editconf.cpp