diff --git a/README.md b/README.md
index d914a42..2455adb 100644
--- a/README.md
+++ b/README.md
@@ -56,7 +56,7 @@ Calculate using pdb file
 
 ## Testing (for developers)
 
-Please run `Tests/runtest.py/` after changes before pushing commits.
+Please run `Tests/pkacalc_test.py` via `unittest` or `pytest` after changes before pushing commits.
 
 ## References / Citations
 
diff --git a/Tests/runtest.py b/Tests/runtest.py
deleted file mode 100755
index 0a3f351..0000000
--- a/Tests/runtest.py
+++ /dev/null
@@ -1,68 +0,0 @@
-#!/usr/bin/env python
-
-""" Run test for test pdbs """
-
-from __future__ import division
-from __future__ import print_function
-
-from subprocess import call
-import os, re
-import sys
-
-if __name__ == "__main__":
-    # A list of input structures and command-line arguments to be passed in
-    # to PROPKA for each:
-    pdbs = [('1FTJ-Chain-A', []),
-            ('1HPX', []),
-            ('4DFR', []),
-            ('3SGB', []),
-            ('3SGB-subset', ['--titrate_only', 'E:17,E:18,E:19,E:29,E:44,E:45,E:46,E:118,E:119,E:120,E:139']),
-            ('1HPX-warn', ['--quiet']),
-           ]
-
-    for pdb, args in pdbs:
-        print('')
-        print('RUNNING '+pdb)
-
-        # Run pka calculation
-        fh = open(pdb + '.out', 'w')
-        cmd = [sys.executable, '../scripts/propka31.py','pdb/%s.pdb' % pdb] + args
-        ret = call(cmd, stdout=fh, stderr=fh)
-        if ret != 0:
-            print(" ERR:")
-            print(" Failed to execute PROPKA on %s" % pdb)
-            print(" See: %s.out" % pdb)
-            sys.exit(1)
-
-        # Test pka predictions
-        result_file = 'results/%s.dat' % pdb
-        if not os.path.isfile(result_file):
-            print(" ERR:")
-            print(" file not found: %s" % result_file)
-            sys.exit(1)
-
-        result = open(result_file,'r')
-        atpka = False
-        for line in open(pdb+'.pka', 'r').readlines():
-            if not atpka:
-                if "model-pKa" in line:
-                    # test pka
-                    atpka = True
-                    continue
-                else:
-                    continue
-            if "-" in line:
-                # done testing
-                atpka = False
-                continue
-
-            expected_value = float(result.readline())
-            m = re.search('([0-9]+\.[0-9]+)', line)
-            value = float(m.group(0))
-
-            if value != expected_value:
-                print(" ERR:")
-                print(line)
-                print(" %s should be: %s" % (value, expected_value))
-                sys.exit(1)
-