Removed restriction of one reference pull group
authorBerk Hess <hess@kth.se>
Tue, 26 Nov 2013 08:41:01 +0000 (09:41 +0100)
committerBerk Hess <hess@kth.se>
Tue, 3 Dec 2013 08:13:59 +0000 (09:13 +0100)
commitcc819af8c6691d70a84f76ae622f604f83ebf440
tree0c4337d0d62dc7e21280e020490a4305480cb6b6
parent2c0c359c10e1fddadefba782e9310ed4f01ffc20
Removed restriction of one reference pull group

The pull code now uses separate pull groups and coordinates,
which removes any restriction on group pairing.
The pull geometry "position" has been removed, but the origin
option replaces this functionaliy in case of an absolute reference.
Removed triple use of the init option.
Refs #1346

Change-Id: I90736ac6b6f18e3bf26a344072172a69627566e9
17 files changed:
manual/special.tex
share/html/online/mdp_opt.html
src/gromacs/fileio/tpxio.c
src/gromacs/gmxana/gmx_wham.cpp
src/gromacs/gmxlib/mvdata.c
src/gromacs/gmxlib/names.c
src/gromacs/gmxlib/txtdump.c
src/gromacs/gmxlib/typedefs.c
src/gromacs/gmxpreprocess/readir.c
src/gromacs/gmxpreprocess/readir.h
src/gromacs/gmxpreprocess/readpull.c
src/gromacs/legacyheaders/pull.h
src/gromacs/legacyheaders/types/enums.h
src/gromacs/legacyheaders/types/inputrec.h
src/gromacs/mdlib/pull.c
src/gromacs/mdlib/pullutil.c
src/programs/gmx/tpbcmp.c