--- trunk/SHAPES/shaper.ggo	2004/06/25 20:11:44	1310
+++ trunk/SHAPES/shaper.ggo	2004/06/25 22:16:39	1311
@@ -7,10 +7,11 @@ option       "input"     i       "input file name"    
 defgroup "ForceField" groupdesc="A Force Field must be specified" yes
  
 # Options
-option       "input"     i       "input file name"                          string  typestr="filename"      yes
-option	     "bandwidth" b       "The step detail for the potential grids - typically a power of 2"	int	default="8"	no
-groupoption  "charmm"    c       "Use CHARMM 27 parameters"                 group="ForceField"
-groupoption  "amber"     a       "Use Amber99 parameters"                   group="ForceField"
-groupoption  "lj"        l       "Use Lennard-Jones parameters"             group="ForceField"
-groupoption  "gaff"      g       "Use GAFF parameters"                      group="ForceField"
-groupoption  "opls"      o       "Use OPLS/AA parameters"                   group="ForceField"
+option       "input"      i       "input file name"                          string  typestr="filename"      yes
+option	     "bandwidth"  b       "The step detail for the potential grids - typically a power of 2"	int	default="8"	no
+option	     "tolerance"  t	  "The tolerance for recognition of spherical harmonic terms"	double	default="0.01" no	
+groupoption  "charmm"     c       "Use CHARMM 27 parameters"                 group="ForceField"
+groupoption  "amber"      a       "Use Amber99 parameters"                   group="ForceField"
+groupoption  "lj"         l       "Use Lennard-Jones parameters"             group="ForceField"
+groupoption  "gaff"       g       "Use GAFF parameters"                      group="ForceField"
+groupoption  "opls"       o       "Use OPLS/AA parameters"                   group="ForceField"