vmd教程 forces-tutorial

CONTENTS2Contents

1TclForces

1.1Introduction...............

1.2Example1:ConstantForces......

1.3Example2:Rotation.......................................................5559

1.4Example3:ForcingaSubsetofAtoms...............

1.5Example4:ImprovingE ciency..................

2TclBC

2.1Example1:MakingaBubble....................

2.2OptimizingaTclBCscript......................

2.3Example2:Concentratingtheionsinasolution.........

2.4Example3:Improvinge ciency..................

2.5Example4:ImposingaShearFlow.................

3Grid-steeredMolecularDynamics

3.1Introduction..............................

3.2Example1:ConstantForce.....................

3.3Example2:Surface..........................

3.4Example3:Multiplegrids......................13162021242731353939394346