====================MD calculation start====================


===================================  Timing  ===================================

                  MD calculations setup:    1.95312E-02
           Energy & gradient evaluation:    2.52324E+02
                    Stochastic MD setup:    0.00000E+00
               Stochastic MD step setup:    0.00000E+00
                               MD steps:    2.78785E+02


============================  End of MD calculation  ===========================