Fix gmx do_dssp CHARMM support
authorPaul Bauer <paul.bauer.q@gmail.com>
Wed, 11 Nov 2020 14:36:20 +0000 (15:36 +0100)
committerPaul Bauer <paul.bauer.q@gmail.com>
Wed, 11 Nov 2020 14:38:32 +0000 (15:38 +0100)
commitb2e65bc86ef1ba5f8d9550e090aeeffec3caa382
tree2b2d28487bcb461b13a3ab840090c738731d8442
parente40e081e572665db2503bba21a858d77f0977abc
Fix gmx do_dssp CHARMM support

The tool would not work correctly due to issues with detecting some
oxygen molecules.

Fixes #3568
docs/release-notes/2020/2020.5.rst
src/gromacs/gmxana/gmx_do_dssp.cpp