Molecular Dynamics Tutorials¶
These tutorials introduce molecular dynamics (MD) in CONQUEST, though not the topic of MD itself, for which you should consult an appropriate textbook.
Molecular dynamics: NVT with Nose-Hoover chains¶
Parameters that are needed
The output
Files in
MD_3
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Molecular dynamics: NPT with SVR and Parrinello-Rahman¶
Parameters that are needed
The output
Files in
MD_4
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