Correct update group angle param type
commit911c203d4c722a987833c78aedb8bb22570721a0
authorBerk Hess <hess@kth.se>
Sat, 29 Sep 2018 21:33:58 +0000 (29 23:33 +0200)
committerBerk Hess <hess@kth.se>
Sun, 30 Sep 2018 13:43:41 +0000 (30 15:43 +0200)
treed5ec0758004ef4ec9f62ab9db8ae9dd6a0c1a8c7
parent21d82916e11d8e9683224debb204e4c31768c723
Correct update group angle param type

The update group radius calculation incorrectly used the t_iparams
linangle union entry instead of harmonic for normal angle potentials.

Change-Id: If60ad0ea9ce01d80d4285e73ef6f8763fefbdf2b
src/gromacs/mdlib/tests/updategroups.cpp
src/gromacs/mdlib/updategroups.cpp