+++ /dev/null
-====================MD calculation start====================
-
-
-=================================== Timing ===================================
-
- MD calculations setup: 7.81250E-03
- Energy & gradient evaluation: 3.19180E+02
- Stochastic MD setup: 0.00000E+00
- Stochastic MD step setup: 0.00000E+00
- MD steps: 3.73914E+02
-
-
-============================ End of MD calculation ===========================