--- trunk/OOPSE-4/forceFields/DUFF2.frc	2005/03/09 17:28:11	2096
+++ trunk/OOPSE-4/forceFields/DUFF2.frc	2005/03/21 20:50:44	2128
@@ -61,7 +61,7 @@ SSD_RF    0.152                 3.019 
 SSD	  0.152			3.051					
 SSD1      0.152                 3.016 
 SSD_E	  0.152	                3.035
-SSD_RF    0.152                 3.019 
+SSD_RF    0.151                 3.019 
 O_TIP3P   0.1521                3.15061 
 O_TIP4P   0.1550                3.15365 
 O_TIP5P   0.16                  3.12   
@@ -108,25 +108,42 @@ begin MultipoleAtomTypes
 end ChargeAtomTypes
 
 begin MultipoleAtomTypes
-//only support up tp quadrupole.
-//possible format:
-// name d theta phi psi dipole_moment
-// name s theta phi psi dipole_moment splitdipole_distance
-// name q theta phi psi Qxx Qyy Qzz
-// name dq theta phi psi dipole_moment Qxx Qyy Qzz
-// name sq theta phi psi dipole_moment splitdipole_distance Qxx Qyy Qzz
-// euler angles are given in units of degree
-// dipoles are given in units of Debye
-// split dipole distances are given in units of Angstrom
-// quadrupoles are given in units of
+// OOPSE currently only supports charge-charge, charge-dipole, 
+// dipole-dipole, and charge-quadrupole interactions.
+// Dipoles may be either traditional point-dipoles or split-dipoles.
+// possible formats for a multipolar atom type are:
 //
-SSD_E   d       0.0     0.0     0.0     2.42
-SSD_RF  d       0.0     0.0     0.0     2.48
-SSD     d       0.0     0.0     0.0     2.35
-SSD1    d       0.0     0.0     0.0     2.35
-CE      d       0.0     0.0     0.0     1.693
-CK      d       0.0     0.0     0.0     2.478
-HDP     s       0.0     0.0     0.0     20.6    4.63
+// Point-dipoles:
+// name d phi theta psi dipole_moment
+//
+// Split-dipoles:
+// name s phi theta psi dipole_moment splitdipole_distance
+//
+// Point-Quadrupoles:
+// name q phi theta psi Qxx Qyy Qzz
+//
+// Atoms with both dipole and quadrupole moments:
+// name dq phi theta psi dipole_moment Qxx Qyy Qzz
+//
+// Atoms with both split dipoles and quadrupole moments:
+// name sq phi theta psi dipole_moment splitdipole_distance Qxx Qyy Qzz
+//
+// Euler angles are given in zxz convention in units of degrees.
+//
+// Charges are given in units of electrons.
+//
+// Dipoles are given in units of Debyes.
+//
+// Split dipole distances are given in units of Angstroms.
+//  
+// Quadrupole moments are given in units of 10^-26 esu cm^2 (also known as an
+//                                                           esu centi-barn)
+//
+SSD_E   dq       0.0     0.0     0.0     2.42  -1.682  1.762  -0.08
+SSD_RF  dq       0.0     0.0     0.0     2.48  -1.682  1.762  -0.08
+SSD     dq       0.0     0.0     0.0     2.35  -1.682  1.762  -0.08
+SSD1    dq       0.0     0.0     0.0     2.35  -1.682  1.762  -0.08
+//HDP     s       0.0     0.0     0.0     20.6    4.63
 end MultipoleAtomTypes
 
 begin StickyAtomTypes