Hands-on Exercise 3 Molecular Dynamics Simulations
Hands-on Exercise 3 Molecular Dynamics Simulations
Hands-on Exercise 3 Molecular Dynamics Simulations
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Basic Trajectory Informati<strong>on</strong><br />
use animati<strong>on</strong> toolbar to step through the trj file<br />
.xtd is the trj file<br />
sim. parameters<br />
.xcd files for<br />
energy, T,<br />
density, and cell<br />
The Trajectory<br />
menu provide<br />
current frame<br />
informati<strong>on</strong><br />
Page 14<br />
stlin@ntu.edu.tw
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