Add trajectory output to mdrun operation.
authorM. Eric Irrgang <ericirrgang@gmail.com>
Wed, 2 Oct 2019 13:53:52 +0000 (16:53 +0300)
committerPaul Bauer <paul.bauer.q@gmail.com>
Mon, 21 Oct 2019 07:25:02 +0000 (09:25 +0200)
commit17175faa49085a0890db2ec10f6a3f8484d42d32
treef215f20b1341d952b10ea171b7f85677e64ef1b0
parent5b594f3bc695fe439c4dcbedc09b38c0fe3cc42f
Add trajectory output to mdrun operation.

Fixes #3144

Change-Id: Ic9e1eb988bc9c934eb8e9cd6009008e6e60d8342
python_packaging/src/gmxapi/simulation/mdrun.py
python_packaging/src/test/test_mdrun.py