SimpleMDExerciseII


SimpleMDExercise SimpleMDExerciseI SimpleMDExerciseIII SimpleMDExerciseIV

In SimpleMDExerciseII, we shall get to the level of codes for microcanonical simulation of water system.

# With Internal Structure II : topologically water-like

The molecule in this section will be topologically denoted as L-M-R. As is the above case with, first step is to implement the constrained structure. (But we will no longer consider rigid body from now.) Then, we will fix L & R and apply an effective force only on M. Finally, we will consider the case with forces on each site.

# With no other body : intra-motion

# With another body/bodies : inter-motion

같이 보기