Almost working now! not vv for average kinetic energy, but about to try something.
commit20a0c120012836af32f48729c565562c0c974f02
authorMichael Shirts <michael.shirts@virginia.edu>
Fri, 20 Nov 2009 06:08:40 +0000 (20 01:08 -0500)
committerMichael Shirts <michael.shirts@virginia.edu>
Fri, 20 Nov 2009 06:08:40 +0000 (20 01:08 -0500)
treec63b62ebc04d7e4159f5efa42ac4ff2df899c447
parentb35cb6b83d46bb22fcf35d416c0831874b434b8c
Almost working now!  not vv for average kinetic energy, but about to try something.
13 files changed:
include/types/group.h
include/types/inputrec.h
include/types/state.h
src/gmxlib/mvdata.c
src/gmxlib/tpxio.c
src/gmxlib/txtdump.c
src/gmxlib/typedefs.c
src/kernel/md.c
src/kernel/readir.c
src/mdlib/constr.c
src/mdlib/coupling.c
src/mdlib/tgroup.c
src/mdlib/update.c