Minimizationand Equilibration.Minimization and equilibration differ from eachother by the nature in which they implement themolecular dynamicsforce field. Energy minimization involves searching the energylandscape of the molecule for a local minimum, i.e.,place in whichthe molecule is relaxed, by systematically varying the positions ofatoms and calculating the energy. Equilibration involvesmoleculardynamics, whereby Newton Second Law is solved for eachatom in thesystem to dictate its trajectory. Achievement of equilib-rium isjudged by how well velocities, pressure, etc. are distributedin thesystem over a given amount of time
请问
1)在能量最小化后,此时是平衡状态么?
2)能量最小化后,此时原子速度是0?
谢谢大家帮助。