My Solvation cell shape is truncated octahedron, when I select the velocity verlet dynamic integrator in standard dynamics cascade, the heating step is gray colored(what does it mean) Do I need to take look at it or can I continue using velocity verlet without considering the heating step? Moreover, if I use the velocity verlet dynamics integrator, I couldn't see the heating step in output (htm file).
Must I choice the Leaf frog integrator instead of using Velocity verlet?
Please help me!!!
Thanks in advance
Must I choice the Leaf frog integrator instead of using Velocity verlet?
Please help me!!!
Thanks in advance