Update test_compute.py

deepmodeling · Oct 17, 2023 · 98ffe8b · 98ffe8b
1 parent b26de25
commit 98ffe8b
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/tests/test_admp/test_compute.py b/tests/test_admp/test_compute.py
@@ -22,7 +22,7 @@ def test_init(self):
                 ADMPPmeForce, # polarized
             )
         """
-        rc = 0.4
+        rc = 4.0
         H = Hamiltonian('tests/data/admp.xml')
         pdb = app.PDBFile('tests/data/water_dimer.pdb')
         potential = H.createPotential(pdb.topology, nonbondedCutoff=rc*unit.angstrom, ethresh=5e-4, step_pol=5)