diff --git a/src/Action_GIST.cpp b/src/Action_GIST.cpp
index 196e8574f2..c928fa26e3 100644
--- a/src/Action_GIST.cpp
+++ b/src/Action_GIST.cpp
@@ -3,6 +3,7 @@
 #include "Action_GIST.h"
 #include "CpptrajStdio.h"
 #include "Constants.h"
+#include "DataSet_MatrixFlt.h"
 #include "DataSet_GridFlt.h"
 #include "DataSet_GridDbl.h"
 #include "ProgressBar.h"
@@ -663,7 +664,7 @@ void Action_GIST::NonbondEnergy(Frame const& frameIn, Topology const& topIn)
 // Action_GIST::Order()
 void Action_GIST::Order(Frame const& frameIn) {
   // Loop over all solvent molecules that are on the grid
-  for (unsigned int gidx = 0; gidx < N_ON_GRID_; gidx += 3)
+  for (unsigned int gidx = 0; gidx < N_ON_GRID_; gidx += nMolAtoms_)
   {
     int oidx1 = OnGrid_idxs_[gidx];
     int voxel1 = atom_voxel_[oidx1];
diff --git a/src/Action_GIST.h b/src/Action_GIST.h
index c6d0b0f217..575850dc59 100644
--- a/src/Action_GIST.h
+++ b/src/Action_GIST.h
@@ -2,9 +2,9 @@
 #define INC_ACTION_GIST_H
 #include "Action.h"
 #include "ImagedAction.h"
-#include "DataSet_3D.h"
-#include "DataSet_MatrixFlt.h"
 #include "Timer.h"
+class DataSet_3D;
+class DataSet_MatrixFlt;
 /// Class for applying Grid Inhomogenous Solvation Theory
 /** \author Daniel R. Roe
   */
diff --git a/test/Test_GIST_Order/RunTest.sh b/test/Test_GIST_Order/RunTest.sh
index 58a7341acd..6cfe0ab4b9 100755
--- a/test/Test_GIST_Order/RunTest.sh
+++ b/test/Test_GIST_Order/RunTest.sh
@@ -2,22 +2,43 @@
 
 . ../MasterTest.sh
 
-CleanFiles gist.in gist-*.dx gistout.dat
+CleanFiles gist.in gist-*.dx gistout.dat tip4p.dat tip5p.dat
 
-TESTNAME='GIST tetrahedral water cluster test'
+TESTNAME='GIST tetrahedral water cluster tests'
 Requires notparallel
 
 INPUT="-i gist.in"
 
+UNITNAME='TIP3P water cluster test'
 cat > gist.in <<EOF
 parm test_gist.prmtop
 trajin test_gist-center.crd
 gist doorder gridcntr 0.5 0.5 0.5 griddim 1 1 1 gridspacn 1.0 out gistout.dat refdens 0.0333
 EOF
-RunCpptraj "$TESTNAME"
-
+RunCpptraj "$UNITNAME"
 DoTest gist-order-norm.dx.save gist-order-norm.dx
 DoTest gistout.dat.save gistout.dat
 
+UNITNAME='TIP4P water cluster test'
+cat > gist.in <<EOF
+parm tip4pew.cluster.parm7
+trajin tip4pew.cluster.rst7
+gist doorder gridcntr 0.5 0.5 0.5 griddim 1 1 1 gridspacn 1.0 out tip4p.dat refdens 0.0333
+EOF
+RunCpptraj "$UNITNAME"
+#DoTest gist-order-norm.dx.save gist-order-norm.dx
+DoTest tip4p.dat.save tip4p.dat
+
+UNITNAME='TIP5P water cluster test'
+cat > gist.in <<EOF
+parm tip5p.cluster.parm7
+trajin tip5p.cluster.rst7
+gist doorder gridcntr 0.5 0.5 0.5 griddim 1 1 1 gridspacn 1.0 out tip5p.dat refdens 0.0333
+EOF
+RunCpptraj "$UNITNAME"
+#DoTest gist-order-norm.dx.save gist-order-norm.dx
+DoTest tip5p.dat.save tip5p.dat
+
+
 EndTest
 exit 0
diff --git a/test/Test_GIST_Order/test_gist-center.crd b/test/Test_GIST_Order/test_gist-center.crd
index 67a9558019..82850430ff 100644
--- a/test/Test_GIST_Order/test_gist-center.crd
+++ b/test/Test_GIST_Order/test_gist-center.crd
@@ -4,4 +4,4 @@ Cpptraj Generated trajectory
    0.000  -0.254   0.021  -0.923   0.849   0.441   0.025  -2.691   0.685   0.703
   -2.666   0.593   1.656  -1.834   0.375   0.411   2.133   1.334   0.972   1.864
    1.133   1.868   2.207   2.288   0.952
-  32.472  32.489  32.464  
+  32.472  32.489  32.464
diff --git a/test/Test_GIST_Order/tip4p.dat.save b/test/Test_GIST_Order/tip4p.dat.save
new file mode 100644
index 0000000000..3e70ce0904
--- /dev/null
+++ b/test/Test_GIST_Order/tip4p.dat.save
@@ -0,0 +1,3 @@
+GIST Output, information printed per voxel
+voxel xcoord ycoord zcoord population g_O g_H dTStrans-dens(kcal/mol/A^3) dTStrans-norm(kcal/mol) dTSorient-dens(kcal/mol/A^3) dTSorient-norm(kcal/mol) dTSsix-dens(kcal/mol/A^3) dTSsix-norm (kcal/mol) Esw-dens(kcal/mol/A^3) Esw-norm(kcal/mol) Eww-dens(kcal/mol/A^3) Eww-norm-unref(kcal/mol) Dipole_x-dens(D/A^3) Dipole_y-dens(D/A^3) Dipole_z-dens(D/A^3) Dipole-dens(D/A^3) neighbor-dens(1/A^3) neighbor-norm order-norm
+0 0.5 0.5 0.5 1 30.03 15.015 0 0 0 0 0 0 0 0 0 0 1.17821 0.914938 -1.77876 2.32148 4 4 0.958873 
diff --git a/test/Test_GIST_Order/tip4pew.cluster.parm7 b/test/Test_GIST_Order/tip4pew.cluster.parm7
new file mode 100644
index 0000000000..8e8fb0f0a0
--- /dev/null
+++ b/test/Test_GIST_Order/tip4pew.cluster.parm7
@@ -0,0 +1,163 @@
+%VERSION  VERSION_STAMP = V0001.000  DATE = 11/02/16  10:09:38                  
+%FLAG TITLE                                                                     
+%FORMAT(20a4)                                                                   
+default_name                                                                    
+%FLAG POINTERS                                                                  
+%FORMAT(10I8)                                                                   
+      20       3      15       5       0       0       0       0       0       0
+      35       5       5       0       0       3       0       0       3       1
+       0       0       0       0       0       0       0       1       4       0
+       5
+%FLAG ATOM_NAME                                                                 
+%FORMAT(20a4)                                                                   
+O   H1  H2  EPW O   H1  H2  EPW O   H1  H2  EPW O   H1  H2  EPW O   H1  H2  EPW 
+%FLAG CHARGE                                                                    
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  9.55249411E+00  9.55249411E+00 -1.91049882E+01  0.00000000E+00
+  9.55249411E+00  9.55249411E+00 -1.91049882E+01  0.00000000E+00  9.55249411E+00
+  9.55249411E+00 -1.91049882E+01  0.00000000E+00  9.55249411E+00  9.55249411E+00
+ -1.91049882E+01  0.00000000E+00  9.55249411E+00  9.55249411E+00 -1.91049882E+01
+%FLAG ATOMIC_NUMBER                                                             
+%FORMAT(10I8)                                                                   
+       8       1       1       0       8       1       1       0       8       1
+       1       0       8       1       1       0       8       1       1       0
+%FLAG MASS                                                                      
+%FORMAT(5E16.8)                                                                 
+  1.60000000E+01  1.00800000E+00  1.00800000E+00  0.00000000E+00  1.60000000E+01
+  1.00800000E+00  1.00800000E+00  0.00000000E+00  1.60000000E+01  1.00800000E+00
+  1.00800000E+00  0.00000000E+00  1.60000000E+01  1.00800000E+00  1.00800000E+00
+  0.00000000E+00  1.60000000E+01  1.00800000E+00  1.00800000E+00  0.00000000E+00
+%FLAG ATOM_TYPE_INDEX                                                           
+%FORMAT(10I8)                                                                   
+       1       2       2       3       1       2       2       3       1       2
+       2       3       1       2       2       3       1       2       2       3
+%FLAG NUMBER_EXCLUDED_ATOMS                                                     
+%FORMAT(10I8)                                                                   
+       3       2       1       1       3       2       1       1       3       2
+       1       1       3       2       1       1       3       2       1       1
+%FLAG NONBONDED_PARM_INDEX                                                      
+%FORMAT(10I8)                                                                   
+       1      -1       4      -1       3       5       4       5       6
+%FLAG RESIDUE_LABEL                                                             
+%FORMAT(20a4)                                                                   
+WAT WAT WAT WAT WAT 
+%FLAG RESIDUE_POINTER                                                           
+%FORMAT(10I8)                                                                   
+       1       5       9      13      17
+%FLAG BOND_FORCE_CONSTANT                                                       
+%FORMAT(5E16.8)                                                                 
+  5.53000000E+02  5.53000000E+02  5.53000000E+02
+%FLAG BOND_EQUIL_VALUE                                                          
+%FORMAT(5E16.8)                                                                 
+  1.51360000E+00  1.25000000E-01  9.57200000E-01
+%FLAG ANGLE_FORCE_CONSTANT                                                      
+%FORMAT(5E16.8)                                                                 
+
+%FLAG ANGLE_EQUIL_VALUE                                                         
+%FORMAT(5E16.8)                                                                 
+
+%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
+%FORMAT(5E16.8)                                                                 
+
+%FLAG DIHEDRAL_PERIODICITY                                                      
+%FORMAT(5E16.8)                                                                 
+
+%FLAG DIHEDRAL_PHASE                                                            
+%FORMAT(5E16.8)                                                                 
+
+%FLAG SCEE_SCALE_FACTOR                                                         
+%FORMAT(5E16.8)                                                                 
+
+%FLAG SCNB_SCALE_FACTOR                                                         
+%FORMAT(5E16.8)                                                                 
+
+%FLAG SOLTY                                                                     
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+%FLAG LENNARD_JONES_ACOEF                                                       
+%FORMAT(5E16.8)                                                                 
+  6.56136207E+05  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00
+%FLAG LENNARD_JONES_BCOEF                                                       
+%FORMAT(5E16.8)                                                                 
+  6.53563058E+02  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00
+%FLAG BONDS_INC_HYDROGEN                                                        
+%FORMAT(10I8)                                                                   
+       3       6       1       0       3       3       0       6       3      15
+      18       1      12      15       3      12      18       3      27      30
+       1      24      27       3      24      30       3      39      42       1
+      36      39       3      36      42       3      51      54       1      48
+      51       3      48      54       3
+%FLAG BONDS_WITHOUT_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
+       0       9       2      12      21       2      24      33       2      36
+      45       2      48      57       2
+%FLAG ANGLES_INC_HYDROGEN                                                       
+%FORMAT(10I8)                                                                   
+
+%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
+%FORMAT(10I8)                                                                   
+
+%FLAG DIHEDRALS_INC_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
+
+%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
+%FORMAT(10I8)                                                                   
+
+%FLAG EXCLUDED_ATOMS_LIST                                                       
+%FORMAT(10I8)                                                                   
+       2       3       4       3       4       4       0       6       7       8
+       7       8       8       0      10      11      12      11      12      12
+       0      14      15      16      15      16      16       0      18      19
+      20      19      20      20       0
+%FLAG HBOND_ACOEF                                                               
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00
+%FLAG HBOND_BCOEF                                                               
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00
+%FLAG HBCUT                                                                     
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00
+%FLAG AMBER_ATOM_TYPE                                                           
+%FORMAT(20a4)                                                                   
+OW  HW  HW  EP  OW  HW  HW  EP  OW  HW  HW  EP  OW  HW  HW  EP  OW  HW  HW  EP  
+%FLAG TREE_CHAIN_CLASSIFICATION                                                 
+%FORMAT(20a4)                                                                   
+BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 
+%FLAG JOIN_ARRAY                                                                
+%FORMAT(10I8)                                                                   
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+%FLAG IROTAT                                                                    
+%FORMAT(10I8)                                                                   
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+%FLAG SOLVENT_POINTERS                                                          
+%FORMAT(3I8)                                                                    
+       0       5       1
+%FLAG ATOMS_PER_MOLECULE                                                        
+%FORMAT(10I8)                                                                   
+       4       4       4       4       4
+%FLAG BOX_DIMENSIONS                                                            
+%FORMAT(5E16.8)                                                                 
+  9.00000000E+01  4.89800000E+00  5.27200000E+00  5.13200000E+00
+%FLAG RADIUS_SET                                                                
+%FORMAT(1a80)                                                                   
+modified Bondi radii (mbondi)                                                   
+%FLAG RADII                                                                     
+%FORMAT(5E16.8)                                                                 
+  1.50000000E+00  8.00000000E-01  8.00000000E-01  1.50000000E+00  1.50000000E+00
+  8.00000000E-01  8.00000000E-01  1.50000000E+00  1.50000000E+00  8.00000000E-01
+  8.00000000E-01  1.50000000E+00  1.50000000E+00  8.00000000E-01  8.00000000E-01
+  1.50000000E+00  1.50000000E+00  8.00000000E-01  8.00000000E-01  1.50000000E+00
+%FLAG SCREEN                                                                    
+%FORMAT(5E16.8)                                                                 
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.00000000E-01  8.50000000E-01
+  8.50000000E-01  8.50000000E-01  8.00000000E-01  8.50000000E-01  8.50000000E-01
+  8.50000000E-01  8.00000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
+  8.00000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.00000000E-01
+%FLAG IPOL                                                                      
+%FORMAT(1I8)                                                                    
+       0
diff --git a/test/Test_GIST_Order/tip4pew.cluster.rst7 b/test/Test_GIST_Order/tip4pew.cluster.rst7
new file mode 100644
index 0000000000..3c6729dac6
--- /dev/null
+++ b/test/Test_GIST_Order/tip4pew.cluster.rst7
@@ -0,0 +1,13 @@
+Cpptraj Generated Restart                                                       
+   20
+  -0.3000000   0.3200000  -2.7880000  -1.0730000   0.6270000  -3.2640000
+  -0.2420000  -0.6110000  -3.0000000  -0.3761656   0.2533315  -2.8613431
+   0.1770000  -2.6280000   0.8000000  -0.6900000  -2.9840000   0.6050000
+   0.0700000  -1.6790000   0.7220000   0.0731324  -2.5648390   0.7708914
+  -0.0000000   0.0000000   0.0000000  -0.2540000   0.0210000  -0.9230000
+   0.8490000   0.4410000   0.0250000   0.0635003   0.0492875  -0.0957264
+  -2.6910000   0.6850000   0.7030000  -2.6660000   0.5930000   1.6560000
+  -1.8340000   0.3750000   0.4110000  -2.5969349   0.6421447   0.7732872
+   2.1330000   1.3340000   0.9720000   1.8640000   1.1330000   1.8680000
+   2.2070000   2.2880000   0.9520000   2.1121896   1.4143335   1.0654802
+  32.4720000  32.4890000  32.4640000  90.0000000  90.0000000  90.0000000
diff --git a/test/Test_GIST_Order/tip5p.cluster.parm7 b/test/Test_GIST_Order/tip5p.cluster.parm7
new file mode 100644
index 0000000000..96b1363819
--- /dev/null
+++ b/test/Test_GIST_Order/tip5p.cluster.parm7
@@ -0,0 +1,178 @@
+%VERSION  VERSION_STAMP = V0001.000  DATE = 11/02/16  11:53:26                  
+%FLAG TITLE                                                                     
+%FORMAT(20a4)                                                                   
+default_name                                                                    
+%FLAG POINTERS                                                                  
+%FORMAT(10I8)                                                                   
+      25       3      15      10       0       0       0       0       0       0
+      55       5      10       0       0       3       0       0       3       1
+       0       0       0       0       0       0       0       1       5       0
+      10
+%FLAG ATOM_NAME                                                                 
+%FORMAT(20a4)                                                                   
+O   H1  H2  EP1 EP2 O   H1  H2  EP1 EP2 O   H1  H2  EP1 EP2 O   H1  H2  EP1 EP2 
+O   H1  H2  EP1 EP2 
+%FLAG CHARGE                                                                    
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  4.39157430E+00  4.39157430E+00 -4.39157430E+00 -4.39157430E+00
+  0.00000000E+00  4.39157430E+00  4.39157430E+00 -4.39157430E+00 -4.39157430E+00
+  0.00000000E+00  4.39157430E+00  4.39157430E+00 -4.39157430E+00 -4.39157430E+00
+  0.00000000E+00  4.39157430E+00  4.39157430E+00 -4.39157430E+00 -4.39157430E+00
+  0.00000000E+00  4.39157430E+00  4.39157430E+00 -4.39157430E+00 -4.39157430E+00
+%FLAG ATOMIC_NUMBER                                                             
+%FORMAT(10I8)                                                                   
+       8       1       1       0       0       8       1       1       0       0
+       8       1       1       0       0       8       1       1       0       0
+       8       1       1       0       0
+%FLAG MASS                                                                      
+%FORMAT(5E16.8)                                                                 
+  1.60000000E+01  1.00800000E+00  1.00800000E+00  0.00000000E+00  0.00000000E+00
+  1.60000000E+01  1.00800000E+00  1.00800000E+00  0.00000000E+00  0.00000000E+00
+  1.60000000E+01  1.00800000E+00  1.00800000E+00  0.00000000E+00  0.00000000E+00
+  1.60000000E+01  1.00800000E+00  1.00800000E+00  0.00000000E+00  0.00000000E+00
+  1.60000000E+01  1.00800000E+00  1.00800000E+00  0.00000000E+00  0.00000000E+00
+%FLAG ATOM_TYPE_INDEX                                                           
+%FORMAT(10I8)                                                                   
+       1       2       2       3       3       1       2       2       3       3
+       1       2       2       3       3       1       2       2       3       3
+       1       2       2       3       3
+%FLAG NUMBER_EXCLUDED_ATOMS                                                     
+%FORMAT(10I8)                                                                   
+       4       3       2       1       1       4       3       2       1       1
+       4       3       2       1       1       4       3       2       1       1
+       4       3       2       1       1
+%FLAG NONBONDED_PARM_INDEX                                                      
+%FORMAT(10I8)                                                                   
+       1      -1       4      -1       3       5       4       5       6
+%FLAG RESIDUE_LABEL                                                             
+%FORMAT(20a4)                                                                   
+WAT WAT WAT WAT WAT 
+%FLAG RESIDUE_POINTER                                                           
+%FORMAT(10I8)                                                                   
+       1       6      11      16      21
+%FLAG BOND_FORCE_CONSTANT                                                       
+%FORMAT(5E16.8)                                                                 
+  5.53000000E+02  5.53000000E+02  5.53000000E+02
+%FLAG BOND_EQUIL_VALUE                                                          
+%FORMAT(5E16.8)                                                                 
+  1.51360000E+00  7.00000000E-01  9.57200000E-01
+%FLAG ANGLE_FORCE_CONSTANT                                                      
+%FORMAT(5E16.8)                                                                 
+
+%FLAG ANGLE_EQUIL_VALUE                                                         
+%FORMAT(5E16.8)                                                                 
+
+%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
+%FORMAT(5E16.8)                                                                 
+
+%FLAG DIHEDRAL_PERIODICITY                                                      
+%FORMAT(5E16.8)                                                                 
+
+%FLAG DIHEDRAL_PHASE                                                            
+%FORMAT(5E16.8)                                                                 
+
+%FLAG SCEE_SCALE_FACTOR                                                         
+%FORMAT(5E16.8)                                                                 
+
+%FLAG SCNB_SCALE_FACTOR                                                         
+%FORMAT(5E16.8)                                                                 
+
+%FLAG SOLTY                                                                     
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+%FLAG LENNARD_JONES_ACOEF                                                       
+%FORMAT(5E16.8)                                                                 
+  5.44394443E+05  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00
+%FLAG LENNARD_JONES_BCOEF                                                       
+%FORMAT(5E16.8)                                                                 
+  5.90264723E+02  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00
+%FLAG BONDS_INC_HYDROGEN                                                        
+%FORMAT(10I8)                                                                   
+       3       6       1       0       3       3       0       6       3      18
+      21       1      15      18       3      15      21       3      33      36
+       1      30      33       3      30      36       3      48      51       1
+      45      48       3      45      51       3      63      66       1      60
+      63       3      60      66       3
+%FLAG BONDS_WITHOUT_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
+       0       9       2       0      12       2      15      24       2      15
+      27       2      30      39       2      30      42       2      45      54
+       2      45      57       2      60      69       2      60      72       2
+%FLAG ANGLES_INC_HYDROGEN                                                       
+%FORMAT(10I8)                                                                   
+
+%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
+%FORMAT(10I8)                                                                   
+
+%FLAG DIHEDRALS_INC_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
+
+%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
+%FORMAT(10I8)                                                                   
+
+%FLAG EXCLUDED_ATOMS_LIST                                                       
+%FORMAT(10I8)                                                                   
+       2       3       4       5       3       4       5       4       5       5
+       0       7       8       9      10       8       9      10       9      10
+      10       0      12      13      14      15      13      14      15      14
+      15      15       0      17      18      19      20      18      19      20
+      19      20      20       0      22      23      24      25      23      24
+      25      24      25      25       0
+%FLAG HBOND_ACOEF                                                               
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00
+%FLAG HBOND_BCOEF                                                               
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00
+%FLAG HBCUT                                                                     
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00
+%FLAG AMBER_ATOM_TYPE                                                           
+%FORMAT(20a4)                                                                   
+OW  HW  HW  EP  EP  OW  HW  HW  EP  EP  OW  HW  HW  EP  EP  OW  HW  HW  EP  EP  
+OW  HW  HW  EP  EP  
+%FLAG TREE_CHAIN_CLASSIFICATION                                                 
+%FORMAT(20a4)                                                                   
+BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 
+BLA BLA BLA BLA BLA 
+%FLAG JOIN_ARRAY                                                                
+%FORMAT(10I8)                                                                   
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0
+%FLAG IROTAT                                                                    
+%FORMAT(10I8)                                                                   
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0
+%FLAG SOLVENT_POINTERS                                                          
+%FORMAT(3I8)                                                                    
+       0       5       1
+%FLAG ATOMS_PER_MOLECULE                                                        
+%FORMAT(10I8)                                                                   
+       5       5       5       5       5
+%FLAG BOX_DIMENSIONS                                                            
+%FORMAT(5E16.8)                                                                 
+  9.00000000E+01  5.76864519E+00  5.27200000E+00  5.13200000E+00
+%FLAG RADIUS_SET                                                                
+%FORMAT(1a80)                                                                   
+modified Bondi radii (mbondi)                                                   
+%FLAG RADII                                                                     
+%FORMAT(5E16.8)                                                                 
+  1.50000000E+00  8.00000000E-01  8.00000000E-01  1.50000000E+00  1.50000000E+00
+  1.50000000E+00  8.00000000E-01  8.00000000E-01  1.50000000E+00  1.50000000E+00
+  1.50000000E+00  8.00000000E-01  8.00000000E-01  1.50000000E+00  1.50000000E+00
+  1.50000000E+00  8.00000000E-01  8.00000000E-01  1.50000000E+00  1.50000000E+00
+  1.50000000E+00  8.00000000E-01  8.00000000E-01  1.50000000E+00  1.50000000E+00
+%FLAG SCREEN                                                                    
+%FORMAT(5E16.8)                                                                 
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.00000000E-01  8.00000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.00000000E-01  8.00000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.00000000E-01  8.00000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.00000000E-01  8.00000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.00000000E-01  8.00000000E-01
+%FLAG IPOL                                                                      
+%FORMAT(1I8)                                                                    
+       0
diff --git a/test/Test_GIST_Order/tip5p.cluster.rst7 b/test/Test_GIST_Order/tip5p.cluster.rst7
new file mode 100644
index 0000000000..7abd64a9dd
--- /dev/null
+++ b/test/Test_GIST_Order/tip5p.cluster.rst7
@@ -0,0 +1,16 @@
+Cpptraj Generated Restart                                                       
+   25
+  -0.3000000   0.3200000  -2.7880000  -1.0730000   0.6270000  -3.2640000
+  -0.2420000  -0.6110000  -3.0000000  -0.4897581   0.1028546  -2.1501602
+   0.2661642   0.3876551  -3.1940554   0.1770000  -2.6280000   0.8000000
+  -0.6900000  -2.9840000   0.6050000   0.0700000  -1.6790000   0.7220000
+   0.5464767  -2.5759872   0.2077318   0.2301405  -2.5064825   1.4873205
+   0.0000000   0.0000000   0.0000000  -0.2540000   0.0210000  -0.9230000
+   0.8490000   0.4410000   0.0250000   0.3650715  -0.5833162   0.1283162
+  -0.2412900   0.5730818   0.3214908  -2.6910000   0.6850000   0.7030000
+  -2.6660000   0.5930000   1.6560000  -1.8340000   0.3750000   0.4110000
+  -2.4574663   1.3200688   0.5236969  -2.9367150   0.0947559   0.4179807
+   2.1330000   1.3340000   0.9720000   1.8640000   1.1330000   1.8680000
+   2.2070000   2.2880000   0.9520000   1.5652556   1.4283652   0.5735512
+   2.8319302   1.3376574   0.9334879
+  32.4720000  32.4890000  32.4640000  90.0000000  90.0000000  90.0000000
diff --git a/test/Test_GIST_Order/tip5p.dat.save b/test/Test_GIST_Order/tip5p.dat.save
new file mode 100644
index 0000000000..c843f8ad3e
--- /dev/null
+++ b/test/Test_GIST_Order/tip5p.dat.save
@@ -0,0 +1,3 @@
+GIST Output, information printed per voxel
+voxel xcoord ycoord zcoord population g_O g_H dTStrans-dens(kcal/mol/A^3) dTStrans-norm(kcal/mol) dTSorient-dens(kcal/mol/A^3) dTSorient-norm(kcal/mol) dTSsix-dens(kcal/mol/A^3) dTSsix-norm (kcal/mol) Esw-dens(kcal/mol/A^3) Esw-norm(kcal/mol) Eww-dens(kcal/mol/A^3) Eww-norm-unref(kcal/mol) Dipole_x-dens(D/A^3) Dipole_y-dens(D/A^3) Dipole_z-dens(D/A^3) Dipole-dens(D/A^3) neighbor-dens(1/A^3) neighbor-norm order-norm
+0 0.5 0.5 0.5 1 30.03 15.015 0 0 0 0 0 0 0 0 0 0 0.545385 0.54656 -1.55994 1.74057 4 4 0.958873