biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: a2afb05) | patch
Fix chain ID handling in make_ndx
authorPaul Bauer <paul.bauer.q@gmail.com>
Wed, 25 Sep 2019 14:36:01 +0000 (16:36 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 1 Oct 2019 10:02:39 +0000 (12:02 +0200)
commit63c30db7fc9ce0279a84928cf22664e71b0cf6a0
tree9e577be1084c81326ec1bec36c30c7cb15566a08tree | snapshot
parenta2afb057bea44951f1ec71c617ea3231346ec5e0commit | diff
Fix chain ID handling in make_ndx

The tool was still using the oldest possible way to read in structure
files, leading to issues with the chain IDs being overwritten and
replaced with the default id.

Fixes #3070
Refs #3113

Change-Id: I25112103a043d0266fe64c7619fe8e4abc56ffa5
docs/release-notes/2019/2019.4.rst diff | blob | history
src/gromacs/gmxana/gmx_make_ndx.cpp diff | blob | history
Local GROMACS mirror with custom stuff