[Openmd-users] None conservation of energy in NVE

[Ha, Tran Van]

Dear OpenMD Users,
I did a MD NVE for test but I saw that the total energy is changed so that is not a constant
 
Time(fs) Total Energy(kcal/mol)      
 
0      -207831.44
5000   -207884.48
10000  -207885.81
15000  -207892.57
20000  -207896.81
25000  -207906.52
30000  -207911.17
35000  -207919.85
40000  -207918.37
45000  -207912.52

Would you please help me to explaine this?
 
Best regards,




Ha, Tran Van
Hanoi University of Technology
Faculty of Chemistry
Department of Physical Chemistry

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