Always use mtop constructor
authorPaul Bauer <paul.bauer.q@gmail.com>
Wed, 19 Sep 2018 08:45:36 +0000 (10:45 +0200)
committerBerk Hess <hess@kth.se>
Thu, 20 Sep 2018 12:34:50 +0000 (14:34 +0200)
commit089ad28d244ac2f4a6eb223f2d6f3e7cc245c9c1
tree4da350b56902e9f93a20735dc3bfb8ae43e1a6e8
parente00543196a8fc1985033a328fa389945475ca3b7
Always use mtop constructor

Remove init_mtop and always use the mtop constructor for initializing
a gmx_mtop_t.

Also change ffparams and cmap to be initialized from the start.

Change-Id: Ieaf89a501ebbc29d31435305927332a3926d0c07
src/gromacs/fileio/confio.cpp
src/gromacs/fileio/tpxio.cpp
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/topology/idef.h
src/gromacs/topology/topology.cpp
src/gromacs/topology/topology.h