电极完全freeze后，一直没办法能量最小化

Steepest Descents:

   Tolerance (Fmax)   =  1.00000e+02

   Number of steps    =        50000

Step=    0, Dmax= 1.0e-02 nm, Epot=  1.83445e+15 Fmax= 4.83242e+11, atom= 1873

Step=    1, Dmax= 1.0e-02 nm, Epot=  1.83444e+15 Fmax= 2.61890e+10, atom= 1873

Step=    2, Dmax= 1.2e-02 nm, Epot=  1.83444e+15 Fmax= 2.71022e+09, atom= 5614

Step=   16, Dmax= 1.8e-06 nm, Epot=  1.83444e+15 Fmax= 2.70913e+09, atom= 5614

Energy minimization has stopped, but the forces have not converged to the

requested precision Fmax < 100 (which may not be possible for your system).

It stopped because the algorithm tried to make a new step whose size was too

small, or there was no change in the energy since last step. Either way, we

regard the minimization as converged to within the available machine

precision, given your starting configuration and EM parameters.

Zn本来就是FCC金属也不带电荷

LJ势描述FCC金属是没问题的

Zn和Au，Ag这些FCC金属用LJ势跑一点问题没有

可以不需要冻住

只有像Si，Ge这些和一些前过渡金属，碱金属/碱土金属需要用SW或者Tersoff形式

Zn2+离子的LJ参数和Zn的可差太远了

电荷是0，找LJ就行

而且做Zn和水界面的模拟用的Zn和水的原子类型之间的LJ参数是专门定义的，不是用LB混合规则生成的