diff --git a/phasecalculator/analysis/fgipanalysis.py b/phasecalculator/analysis/fgipanalysis.py
index 40cbdc6da5f4b8122bfa234f645f127e9b7d4630..47f739fc67caebb08a820f897360112fb17c5178 100755
--- a/phasecalculator/analysis/fgipanalysis.py
+++ b/phasecalculator/analysis/fgipanalysis.py
@@ -28,7 +28,7 @@ import solventmapcreator.solvationcalculation.fgipmaker as fgipmaker
 
 logging.basicConfig()
 LOGGER = logging.getLogger(__name__)
-LOGGER.setLevel(logging.WARN)
+LOGGER.setLevel(logging.DEBUG)
 
 EPSILON_I_LIST = np.array([(float(x) / 10.0) - 10.0 for x in range(101)])
 
@@ -36,7 +36,7 @@ EPSILON_J_LIST = np.array([(float(x) / 10.0) for x in range(51)])
 
 
 def create_solv_map_and_fgips_from_files(
-    solvent_filename, polynomial_filename_list, directory, **kwargs
+    frac_occ_filename, polynomial_filename_list, directory, **kwargs
 ):
     """Creates solvent map and FGIPs and output matrix of numerical values.
     
@@ -45,8 +45,8 @@ def create_solv_map_and_fgips_from_files(
 
     Parameters
     ----------
-    solvent_filename : str
-        solvent XML filename.
+    frac_occ_filename: str
+        Filename for fractional Occupancy XML.
     polynomial_filename_list : list of str
         solvation binding energy polynomial filenames.
     directory : str
@@ -66,7 +66,7 @@ def create_solv_map_and_fgips_from_files(
     results, filenames = create_solvation_plots_from_poly_files(
         EPSILON_I_LIST,
         EPSILON_J_LIST,
-        solvent_filename,
+        frac_occ_filename,
         polynomial_filename_list,
         8,
         directory=directory,
@@ -106,7 +106,7 @@ def create_fgips_from_file_list(filename_list, **kwargs):
 def create_solvation_plots_from_poly_files(
     epsilon_i_list,
     epsilon_j_list,
-    solvent_filename,
+    frac_occ_filename,
     polynomial_filename_list,
     polynomial_order,
     **kwargs
@@ -119,8 +119,8 @@ def create_solvation_plots_from_poly_files(
         epsilon values (x direction).
     epsilon_j_list : list of float
         epsilon values (y direction).
-    solvent_filename : str
-        solvent XML filename.
+    frac_occ_filename: str
+        fractional occupancy information filename.
     polynomial_filename_list : list of str
         solvation binding energy polynomial filenames.
     polynomial_order : int
@@ -139,6 +139,7 @@ def create_solvation_plots_from_poly_files(
     plot_outputs = []
     filename_list = []
     directory = kwargs.get("directory", "")
+    frac_occ_inf_dict = solvmapgen.fractionaloccupancycalculator.read_fractional_occupancy_information(frac_occ_filename)
     for polynomial_filename in polynomial_filename_list:
         LOGGER.info("polynomial_filename:")
         LOGGER.info(polynomial_filename)
@@ -150,7 +151,7 @@ def create_solvation_plots_from_poly_files(
                 create_solvation_plot(
                     epsilon_i_list,
                     epsilon_j_list,
-                    solvent_filename,
+                    frac_occ_inf_dict,
                     solvent_id,
                     polynomial_filename,
                     polynomial_order,
@@ -191,7 +192,7 @@ def get_solvent_id_from_poly_filename(
 def create_solvation_plot(
     epsilon_i_list,
     epsilon_j_list,
-    solvent_filename,
+    frac_occ_inf_dict,
     solvent_id,
     polynomial_filename,
     polynomial_order,
@@ -205,8 +206,8 @@ def create_solvation_plot(
         epsilon values (x direction).
     epsilon_j_list : list of float
         epsilon values (y direction).
-    solvent_filename : str
-        solvent XML filename.
+    frac_occ_inf_dict: dict
+        
     solvent_id : str
         solvent ID.
     polynomial_filename : str
@@ -225,7 +226,7 @@ def create_solvation_plot(
     return solvmapgen.create_solvation_plot(
         epsilon_i_list,
         epsilon_j_list,
-        solvent_filename,
+        frac_occ_inf_dict,
         solvent_id,
         polynomial_filename,
         polynomial_order,
diff --git a/phasecalculator/runners/fgipanalysisrunner.py b/phasecalculator/runners/fgipanalysisrunner.py
index d75e999378d3fe8fbda04eb4361ac21e5cb82380..c0cd7ab92480c0f8443c7a31a927b03c62dbeb09 100755
--- a/phasecalculator/runners/fgipanalysisrunner.py
+++ b/phasecalculator/runners/fgipanalysisrunner.py
@@ -34,7 +34,7 @@ LOGGER.setLevel(logging.WARN)
 
 
 def calc_energies_and_fgips(
-    jar_path, energy_xml_filename, solvent_filename, directory_base, **kwargs
+    jar_path, energy_xml_filename, frac_occ_filename, solvent_filename, directory_base, **kwargs
 ):
     """Run phasetransfer calculation and generate FGIPs for input solvent.
 
@@ -44,6 +44,8 @@ def calc_energies_and_fgips(
         path to jar file.
     energy_xml_filename : str
         energy XML filename.
+    frac_occ_filename: str
+        Filename for fractional Occupancy XML.
     solvent_filename : str
         Solvent XML filename.
     directory_base : str
@@ -66,14 +68,15 @@ def calc_energies_and_fgips(
     temperature = kwargs.get("temperature", 298.0)
     temperature_unit = kwargs.get("temperature_unit", "KELVIN")
     run_binding_energy_calculation(
-        jar_path, energy_xml_filename, solvent_filename, **kwargs
+        jar_path, energy_xml_filename, frac_occ_filename,
+        solvent_filename, **kwargs
     )
     directory = generate_directory(directory_base, temperature, temperature_unit)
     out_res, polynomial_filename_list = extract_solvents_and_generate_polynomials(
         solvent_filename, energy_xml_filename, directory
     )
     return run_fgip_analysis(
-        solvent_filename, polynomial_filename_list, directory, **kwargs
+        frac_occ_filename, polynomial_filename_list, directory, **kwargs
     )
 
 
@@ -107,13 +110,13 @@ def generate_directory(directory_base, temperature, temperature_unit):
     return dir_path.as_posix()
 
 
-def run_fgip_analysis(solvent_filename, polynomial_filename_list, directory, **kwargs):
+def run_fgip_analysis(frac_occ_filename, polynomial_filename_list, directory, **kwargs):
     """Run FGIP analysis for all solvents included in solvent file.
 
     Parameters
     ----------
-    solvent_filename : str
-        Filename for solvent XML.
+    frac_occ_filename: str
+        Filename for fractional occupancy XML.
     polynomial_filename_list : list of str
         list of polynomial files to read.
     directory : str
@@ -128,7 +131,7 @@ def run_fgip_analysis(solvent_filename, polynomial_filename_list, directory, **k
 
     """
     return fgipanalysis.create_solv_map_and_fgips_from_files(
-        solvent_filename, polynomial_filename_list, directory, **kwargs
+        frac_occ_filename, polynomial_filename_list, directory, **kwargs
     )
 
 
@@ -162,7 +165,7 @@ def extract_solvents_and_generate_polynomials(
 
 
 def run_binding_energy_calculation(
-    jar_path, output_filename, solvent_filename, **kwargs
+    jar_path, output_filename, frac_occ_filename, solvent_filename, **kwargs
 ):
     """Run solute solvation binding energy calculation.
 
@@ -172,6 +175,8 @@ def run_binding_energy_calculation(
         path to jar executable.
     output_filename : str
         Output filename for result output.
+    frac_occ_filename: str
+        Filename for fractional Occupancy XML.
     solvent_filename : str
         filename for solvent XML.
     memory_req : str, optional
@@ -196,5 +201,6 @@ def run_binding_energy_calculation(
 
     """
     return phaserun.run_phasetransfer_binding_energy(
-        jar_path, output_filename, solvent_filename, **kwargs
+        jar_path, output_filename, frac_occ_filename,
+        solvent_filename, **kwargs
     )
diff --git a/phasecalculator/runners/phasecalculatorrunner.py b/phasecalculator/runners/phasecalculatorrunner.py
index 0fca2c0e2a70e70611d13e7ece88c7efb048b3ed..8b6d61d6eb8ee2e468e3ec7c44cf2b579b9251f4 100755
--- a/phasecalculator/runners/phasecalculatorrunner.py
+++ b/phasecalculator/runners/phasecalculatorrunner.py
@@ -98,12 +98,14 @@ def run_fgip_analysis(system_info, solvent_filename_dict_list, **kwargs):
     for solvent_filename_dict in solvent_filename_dict_list:
         solvent_filename = solvent_filename_dict["solvent_filename"]
         energy_xml_filename = create_binding_energy_output_filename(solvent_filename)
+        frac_occ_filename = create_fractional_occupancy_filename(solvent_filename)
         directory_base = system_info.runtime_information.output_dir
         temperature = solvent_filename_dict["temperature_value"]
         temperature_unit = solvent_filename_dict["temperature_units"]
         results, latex_blocks = fgiprun.calc_energies_and_fgips(
             jar_path,
             energy_xml_filename,
+            frac_occ_filename,
             solvent_filename,
             directory_base,
             temperature=temperature,
@@ -244,6 +246,22 @@ def create_binding_energy_output_filename(solvent_filename):
     return solvent_filename.replace(".xml", "binding.xml")
 
 
+def create_fractional_occupancy_filename(solvent_filename):
+    """Create fractional occupancy filename for solvent file.
+
+    Parameters
+    ----------
+    solvent_filename : str
+        Input solvent filename.
+
+    Returns
+    -------
+    str
+        Fractional occupancy filename.
+
+    """
+    return solvent_filename.replace(".xml", "_fracocc.xml")
+
 def create_phase_output_filename(phase_filename):
     """
 
diff --git a/phasecalculator/runners/phasetransferrunner.py b/phasecalculator/runners/phasetransferrunner.py
index e707120e569996285271bf595008764120cceb93..e7f48cbf28de06c275a7abb7824efb2127249aca 100755
--- a/phasecalculator/runners/phasetransferrunner.py
+++ b/phasecalculator/runners/phasetransferrunner.py
@@ -65,7 +65,7 @@ def run_vle_calculation(jar_path, phase_filename, output_filename, **kwargs):
 
 
 def run_phasetransfer_binding_energy(
-    jar_path, output_filename, solvent_filename, **kwargs
+    jar_path, output_filename, frac_occ_filename, solvent_filename, **kwargs
 ):
     """Run solute solvation binding energy calculation.
 
@@ -75,6 +75,8 @@ def run_phasetransfer_binding_energy(
         path to jar executable.
     output_filename : str
         Output filename for result output.
+    frac_occ_filename: str
+        Filename for fractional Occupancy XML.
     solvent_filename : str
         filename for solvent XML.
     memory_req : str, optional
@@ -100,7 +102,7 @@ def run_phasetransfer_binding_energy(
     """
     if check_jar_exists(jar_path):
         phase_binding_args = generate_phasetransfer_binding_args(
-            jar_path, output_filename, solvent_filename, **kwargs
+            jar_path, output_filename, frac_occ_filename, solvent_filename, **kwargs
         )
         return run_calculation(phase_binding_args)
     else:
@@ -228,7 +230,7 @@ def generate_phasetransfer_free_args(
 
 
 def generate_phasetransfer_binding_args(
-    jar_path, output_filename, solvent_filename, **kwargs
+    jar_path, output_filename, frac_occ_filename, solvent_filename, **kwargs
 ):
     """Generate full argument list for solute solvation binding energy calculation call.
 
@@ -237,7 +239,9 @@ def generate_phasetransfer_binding_args(
     jar_path : str
         path to jar executable.
     output_filename : str
-        Output filename for result output.
+        Output filename for binding energy XML.
+    frac_occ_filename: str
+        Filename for fractional Occupancy XML.
     solvent_filename : str
         filename for solvent XML.
     memory_req : str, optional
@@ -256,7 +260,8 @@ def generate_phasetransfer_binding_args(
 
     """
     jar_args = make_java_arguments(jar_path, memory_req=kwargs.pop("memory_req", None))
-    binding_args = ["--energies", "solvationbinding"]
+    binding_args = ["--energies", "solvationbinding",
+                    "-f", frac_occ_filename ]
     solvent_args = generate_solvent_calc_args(
         output_filename, solvent_filename, **kwargs
     )
diff --git a/phasecalculator/test/analysistest/fgipanalysistest.py b/phasecalculator/test/analysistest/fgipanalysistest.py
index c70315eba02c73ff2f43744664a10a3fa53229da..b9fd26cc00c92a21e59b5321e4c8685da40b9ef8 100755
--- a/phasecalculator/test/analysistest/fgipanalysistest.py
+++ b/phasecalculator/test/analysistest/fgipanalysistest.py
@@ -48,6 +48,11 @@ class FGIPAnalysisTestCase(unittest.TestCase):
             .absolute()
             .as_posix()
         )
+        self.frac_occ_filename = (
+            (self.parent_directory / "resources/expected_solvent_fracocc.xml")
+            .absolute()
+            .as_posix()
+        )
         self.poly_file = (
             (
                 self.parent_directory
@@ -69,7 +74,7 @@ class FGIPAnalysisTestCase(unittest.TestCase):
     \label{fig:1-butanol0_165water0_835solvationmap}
 \end{figure}
 """
-
+        self.frac_occ_inf_dict = fgipanalysis.solvmapgen.fractionaloccupancycalculator.read_fractional_occupancy_information(self.frac_occ_filename)
     def tearDown(self):
         """Clean up after tests.
 
@@ -94,7 +99,7 @@ class FGIPAnalysisTestCase(unittest.TestCase):
 
         """
         results, latex_blocks = fgipanalysis.create_solv_map_and_fgips_from_files(
-            self.solvent_filename, [self.poly_file], ""
+            self.frac_occ_filename, [self.poly_file], ""
         )
         self.assertListEqual([(0, 0)], results)
         self.assertMultiLineEqual(self.expected_latex, latex_blocks)
@@ -113,7 +118,7 @@ class FGIPAnalysisTestCase(unittest.TestCase):
         plot_outputs, filenames = fgipanalysis.create_solvation_plots_from_poly_files(
             fgipanalysis.EPSILON_I_LIST,
             fgipanalysis.EPSILON_J_LIST,
-            self.solvent_filename,
+            self.frac_occ_filename,
             [self.poly_file],
             8,
         )
@@ -132,7 +137,7 @@ class FGIPAnalysisTestCase(unittest.TestCase):
         plot_outputs, filenames = fgipanalysis.create_solvation_plots_from_poly_files(
             fgipanalysis.EPSILON_I_LIST,
             fgipanalysis.EPSILON_J_LIST,
-            self.solvent_filename,
+            self.frac_occ_filename,
             [self.poly_file],
             8,
         )
@@ -165,7 +170,7 @@ class FGIPAnalysisTestCase(unittest.TestCase):
         solv_plot, matrix_res = fgipanalysis.create_solvation_plot(
             fgipanalysis.EPSILON_I_LIST,
             fgipanalysis.EPSILON_J_LIST,
-            self.solvent_filename,
+            self.frac_occ_inf_dict,
             "1-butanol0.165water0.835",
             self.poly_file,
             8,
diff --git a/phasecalculator/test/resources/expected_solvent_fracocc.xml b/phasecalculator/test/resources/expected_solvent_fracocc.xml
new file mode 100644
index 0000000000000000000000000000000000000000..4d7992af4247a08658aff28367e723fee99bea5a
--- /dev/null
+++ b/phasecalculator/test/resources/expected_solvent_fracocc.xml
@@ -0,0 +1,307 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<?xml-stylesheet type="text/xsl" href="http://www-hunter.ch.cam.ac.uk/xlst/phase.xsl"?>
+<phase:FractionalOccupancyCollection xmlns:phase="http://www-hunter.ch.cam.ac.uk/PhaseSchema" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.xml-cml.org/schema http://www-hunter.ch.cam.ac.uk/schema/cmlschema.xsd http://www-hunter.ch.cam.ac.uk/SSIP http://www-hunter.ch.cam.ac.uk/schema/SSIP.xsd http://www-hunter.ch.cam.ac.uk/PhaseSchema http://www-hunter.ch.cam.ac.uk/schema/PhaseSchema.xsd">
+    <phase:FractionalOccupancies>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-0.100solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-0.200solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-0.300solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-0.400solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-0.500solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-0.600solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-0.700solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-0.800solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-0.900solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-1.000solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-1.100solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-1.200solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-1.300solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-1.400solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-1.500solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-1.600solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-1.700solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-1.800solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-1.900solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-10.000solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-10.100solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-10.200solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-10.300solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-10.400solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-10.500solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-10.600solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-10.700solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-10.800solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-10.900solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-11.000solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-11.100solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-11.200solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-11.300solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-11.400solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-11.500solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-11.600solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-11.700solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-11.800solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-11.900solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-12.000solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-12.100solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-12.200solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-12.300solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="-12.400solute" phase:temperature="298.0"/>
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+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="8.500solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="8.600solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="8.700solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="8.800solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="8.900solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="9.000solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="9.100solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="9.200solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="9.300solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="9.400solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="9.500solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="9.600solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="9.700solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="9.800solute" phase:temperature="298.0"/>
+        <phase:FractionalOccupancy phase:value="1.2090405933333335" phase:solventID="1-butanol0.165water0.835" phase:soluteID="9.900solute" phase:temperature="298.0"/>
+    </phase:FractionalOccupancies>
+</phase:FractionalOccupancyCollection>
diff --git a/phasecalculator/test/runnerstest/fgipanalysisrunnertest.py b/phasecalculator/test/runnerstest/fgipanalysisrunnertest.py
index 6b00b1d8dca8a16784e155fa2112c2aa629a3431..9d1bb8e4f60133bca3c2c2e3f7a5dbdb87947570 100755
--- a/phasecalculator/test/runnerstest/fgipanalysisrunnertest.py
+++ b/phasecalculator/test/runnerstest/fgipanalysisrunnertest.py
@@ -59,6 +59,11 @@ class FGIPAnalysisRunnerTestCase(unittest.TestCase):
             .absolute()
             .as_posix()
         )
+        self.frac_occ_filename = (
+            (self.parent_directory / "resources/expected_solvent_fracocc.xml")
+            .absolute()
+            .as_posix()
+        ) 
         self.example_jar = (
             (self.parent_directory / "resources" / "example.jar").absolute().as_posix()
         )
@@ -121,6 +126,7 @@ class FGIPAnalysisRunnerTestCase(unittest.TestCase):
         results, latex_blocks = fgiprunner.calc_energies_and_fgips(
             self.example_jar,
             self.binding_output_filename,
+            self.frac_occ_filename,
             self.solvent_filename,
             self.directory_base,
         )
@@ -149,7 +155,7 @@ class FGIPAnalysisRunnerTestCase(unittest.TestCase):
 
         """
         results, latex_blocks = fgiprunner.run_fgip_analysis(
-            self.solvent_filename, self.filename_list, self.directory
+            self.frac_occ_filename, self.filename_list, self.directory
         )
         self.assertListEqual([(0, 0)], results)
         self.assertMultiLineEqual(self.expected_latex, latex_blocks)
@@ -182,6 +188,8 @@ class FGIPAnalysisRunnerTestCase(unittest.TestCase):
             self.example_jar,
             "--energies",
             "solvationbinding",
+            "-f",
+            self.frac_occ_filename,
             "--calc",
             "--conccalc",
             "-o",
@@ -196,6 +204,7 @@ class FGIPAnalysisRunnerTestCase(unittest.TestCase):
             "298.0",
         ]
         process = fgiprunner.run_binding_energy_calculation(
-            self.example_jar, self.binding_output_filename, self.solvent_filename
+            self.example_jar, self.binding_output_filename,
+            self.frac_occ_filename, self.solvent_filename
         )
         self.assertListEqual(expected_args, process.args)
diff --git a/phasecalculator/test/runnerstest/phasecalculatorrunnertest.py b/phasecalculator/test/runnerstest/phasecalculatorrunnertest.py
index 7ccd815ca8369fc407b280ac746e3bd9475e255d..a8338b1c8ff3b51e2aa40cf2ea88cadd4baec901 100755
--- a/phasecalculator/test/runnerstest/phasecalculatorrunnertest.py
+++ b/phasecalculator/test/runnerstest/phasecalculatorrunnertest.py
@@ -94,6 +94,11 @@ class PhaseCalculatorRunnerTestCase(unittest.TestCase):
             .absolute()
             .as_posix()
         )
+        self.frac_occ_filename = (
+            (parent_directory / "resources/expected_solvent_fracocc.xml")
+            .absolute()
+            .as_posix()
+        )
         self.expected_binding_file = (
             (parent_directory / "resources" / "expected_solventbinding.xml")
             .absolute()
@@ -160,6 +165,7 @@ class PhaseCalculatorRunnerTestCase(unittest.TestCase):
             self.expected_binding_file, "scratch/systemsolvent_298.0Kbinding.xml"
         )
         shutil.copyfile(self.expected_free_file, "scratch/systemsolvent_298.0Kfree.xml")
+        shutil.copyfile(self.frac_occ_filename, "scratch/systemsolvent_298.0K_fracocc.xml")
 
     def test_run_all_analysis(self):
         """Test
@@ -230,7 +236,7 @@ class PhaseCalculatorRunnerTestCase(unittest.TestCase):
         self.assertListEqual(expected_args, process.args)
 
     def test_create_output_dir(self):
-        """Test
+        """Test expected output directory created.
 
         Returns
         -------
@@ -242,7 +248,7 @@ class PhaseCalculatorRunnerTestCase(unittest.TestCase):
         )
 
     def test_create_free_energy_output_filename(self):
-        """Test
+        """Test expected filename produced.
 
         Returns
         -------
@@ -256,7 +262,7 @@ class PhaseCalculatorRunnerTestCase(unittest.TestCase):
         self.assertEqual(expected_filename, actual_filename)
 
     def test_create_binding_energy_output_filename(self):
-        """Test
+        """Test expected filename produced.
 
         Returns
         -------
@@ -269,8 +275,19 @@ class PhaseCalculatorRunnerTestCase(unittest.TestCase):
         )
         self.assertEqual(expected_filename, actual_filename)
 
+    def test_create_fractional_occupancy_filename(self):
+        """Test expected filename produced.
+
+        Returns
+        -------
+        None.
+
+        """
+        expected_filename = "solvent_filename_fracocc.xml"
+        actual_filename = pcalcrun.create_fractional_occupancy_filename("solvent_filename.xml")
+        self.assertEqual(expected_filename, actual_filename)
     def test_create_phase_output_filename(self):
-        """Test
+        """Test expected filename produced.
 
         Returns
         -------
diff --git a/phasecalculator/test/runnerstest/phasetransferrunnertest.py b/phasecalculator/test/runnerstest/phasetransferrunnertest.py
index 8bbfb5591e48de74d76051f8001a23dbb7732a53..a0b3eadd2d2965b02c26a6459023db76b2f5c194 100755
--- a/phasecalculator/test/runnerstest/phasetransferrunnertest.py
+++ b/phasecalculator/test/runnerstest/phasetransferrunnertest.py
@@ -78,6 +78,16 @@ class PhasetransferRunnerTestCase(unittest.TestCase):
             .absolute()
             .as_posix()
         )
+        self.phase_output_filename = (
+            (parent_directory / "resources" / "expected_phaseout.xml")
+            .absolute()
+            .as_posix()
+        )
+        self.frac_occ_filename = (
+            (parent_directory / "resources" / "expected_fracocc.xml")
+            .absolute()
+            .as_posix()
+        )
 
     def tearDown(self):
         """Clean up after tests.
@@ -130,6 +140,8 @@ class PhasetransferRunnerTestCase(unittest.TestCase):
             self.example_jar,
             "--energies",
             "solvationbinding",
+            "-f",
+            self.frac_occ_filename,
             "--calc",
             "--conccalc",
             "-o",
@@ -144,7 +156,8 @@ class PhasetransferRunnerTestCase(unittest.TestCase):
             "298.0",
         ]
         process = phaserun.run_phasetransfer_binding_energy(
-            self.example_jar, self.binding_output_filename, self.solvent_filename
+            self.example_jar, self.binding_output_filename,
+            self.frac_occ_filename, self.solvent_filename
         )
         self.assertListEqual(expected_args, process.args)
 
@@ -268,6 +281,8 @@ class PhasetransferRunnerTestCase(unittest.TestCase):
             self.example_jar,
             "--energies",
             "solvationbinding",
+            "-f",
+            self.frac_occ_filename,
             "--calc",
             "--conccalc",
             "-o",
@@ -282,7 +297,8 @@ class PhasetransferRunnerTestCase(unittest.TestCase):
             "298.0",
         ]
         actual_args = phaserun.generate_phasetransfer_binding_args(
-            self.example_jar, self.binding_output_filename, self.solvent_filename
+            self.example_jar, self.binding_output_filename,
+            self.frac_occ_filename, self.solvent_filename
         )
         self.assertListEqual(expected_args, actual_args)