Fixes for g_chi for bugzilla 569, so that it now uses the GROMACS 4.5 residuetypes...
commitec1a7c1144b962b5f0fcf563961a26f0a30a8599
authorMark Abraham <Mark.J.Abraham@gmail.com>
Thu, 23 Sep 2010 04:41:41 +0000 (23 14:41 +1000)
committerMark Abraham <Mark.J.Abraham@gmail.com>
Thu, 23 Sep 2010 04:46:17 +0000 (23 14:46 +1000)
treebf66ecf30c1f28a5c533006973c6d51dba1e0f0a
parent707c09e8e222170802b71ec7cd20aabbbc994e0b
Fixes for g_chi for bugzilla 569, so that it now uses the GROMACS 4.5 residuetypes.dat database, not the old aminoacids.dat. These fixes use the new gmx_residuetypes API functions contained in the previous commit (bbf195d).
include/gstat.h
src/tools/dlist.c
src/tools/gmx_chi.c