Change the mass of the hydrogen atom from 60 to 2.

adavtyan · Nov 6, 2014 · 834a4e6 · 834a4e6
1 parent 7a165ee
commit 834a4e6
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/create_project_tools/CoordinatesToWorkLammpsDataFile.py b/create_project_tools/CoordinatesToWorkLammpsDataFile.py
@@ -81,7 +81,7 @@ def write_(self, f):
 zhi = 200.0
 masses = [12.0, 14.0, 16.0, 12.0, 1.0]
 if cg and not go:
-	masses = [27.0, 14.0, 28.0, 60.0, 60.0]
+	masses = [27.0, 14.0, 28.0, 60.0, 2.0]
 n_atom_types = 5
 if cg:
 	if cg_bonds: n_bond_types = 5