老师好,请问进行EM的目的是不是有两个?目的一是消除过大的力,使MD simulation顺利的进行下去。另一个目的在GROMACS的manual里这样描述过“Another reason to perform an energy minimization is the removal of all kinetic energy from the system: if several “snapshots” from dynamic simulations must be compared, energy minimization reduces the thermal noise in the structures and potential energies so that they can be compared better ”。没读懂这句,请问这个目的是什么呢?谢谢!