Achieve gmxapi fr15.
authorM. Eric Irrgang <ericirrgang@gmail.com>
Fri, 1 Nov 2019 10:16:30 +0000 (13:16 +0300)
committerPaul Bauer <paul.bauer.q@gmail.com>
Mon, 11 Nov 2019 14:37:03 +0000 (15:37 +0100)
commit23352313324cee9c3adcfa252f413791949ad577
tree14c442cde64b49e65de884ffbd6bb107220a85e3
parentce3b86e73299205ce0963bad3784b1902e02e25f
Achieve gmxapi fr15.

gmxapi.mdrun was missing the described 'parameters' output,
but fr15 was essentially met by the addition of modify_input.

Change-Id: I9e698a046a2717e69af3076c80fabc8ccb85ee12
python_packaging/src/gmxapi/simulation/mdrun.py
python_packaging/src/gmxapi/version.py