Christian:
thank you very much!
I also think the possible reason could be that my system is very unstable .
I run my simulations as follows.
First,I simulate a system that contains 19072 particles.
then,I put two walls which contain 23504 particles in all on and under the system respectively.
At the beginning of the simulation in the secondary step,I find the initial energy of the big system very enormous ,so I want to perform an energy minimization. Unluckily, the error occurs just at the beginning of the minimizing process.
I also find that the reason of enormous energy is that the harmonic bond potential also becomes very enormous.I think the enery of bonding should be small and the only reason of the change of bond potential is the change of the spring length.But,I cann’t understand it .My initial spring length is rightly equal to the initial value that I want to be.
I really expect the reversion from you or others.
Thanks a lot!
Xu
发件人:“Christian_M?ller”
中 国 每 年 用 掉 多 少 双 一 次 性 筷 子 ？
450亿双。这会耗费170万立方米的木材，需要砍伐大约2500万棵大树！ <网易邮箱公益宣传>
中 国 每 年 用 掉 多 少 双 一 次 性 筷 子 ？
450亿双。这会耗费170万立方米的木材，需要砍伐大约2500万棵大树！ <网易邮箱公益宣传>