# GromacsWrapper: Global User Configuration File 

[DEFAULT]

# Directory to store user templates and rc files.
configdir = ~/.gromacswrapper

# Directory to store user supplied queuing system scripts.
qscriptdir = %(configdir)s/qscripts

# Directory to store user supplied template files such as mdp files.
templatesdir = %(configdir)s/templates

# Directory to store manager configuration files
managerdir = %(configdir)s/managers

[Gromacs]
# Release of the Gromacs package to which information in this sections applies.
release = 4.6.5

# tools contains the file names of all Gromacs tools for which classes are generated.
# Editing this list has only an effect when the package is reloaded.
# (Generated with 'ls [^Gac]*' from the Gromacs bin dir)
tools = 
	demux.pl   g_cluster     g_dyndom       g_mdmat      g_principal  g_select    g_wham    mdrun
	do_dssp    g_clustsize   g_enemat       g_membed     g_protonate  g_sgangle   g_wheel   mdrun_d
	editconf   g_confrms     g_energy       g_mindist    g_rama       g_sham      g_x2top   mk_angndx
	eneconv    g_covar       g_filter       g_morph      g_rdf        g_sigeps    genbox    pdb2gmx
	g_anadock  g_current     g_gyrate       g_msd                     g_sorient   genconf
	g_anaeig   g_density     g_h2order      g_nmeig      g_rms        g_spatial   genion    tpbconv
	g_analyze  g_densmap     g_hbond        g_nmens      g_rmsdist    g_spol      genrestr  trjcat
	g_angle    g_dielectric  g_helix        g_nmtraj     g_rmsf       g_tcaf      gmxcheck  trjconv
	g_bar      g_dih         g_helixorient  g_order      g_rotacf     g_traj      gmxdump   trjorder
	g_bond     g_dipoles     g_kinetics     g_pme_error  g_rotmat     g_tune_pme  grompp    xplor2gmx.pl
	g_bundle   g_disre       g_lie          g_polystat   g_saltbr     g_vanhove   make_edi  xpm2ps
	g_chi      g_dist        g_luck         g_potential  g_sas        g_velacc    make_ndx

# which tool groups to make available as gromacs.NAME
groups = tools

[Logging]
# name of the logfile that is written to the current directory
logfilename = gromacs.log

# loglevels (see Python's logging module for details)
#
# ERROR    only fatal errors
# WARN     only warnings
# INFO     interesting messages
# DEBUG    everything
# 
# console  messages written to screen
loglevel_console = INFO
# file     messages written to logfilename
loglevel_file = DEBUG
