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Force fields and molecular dynamics

A collection of activities and exercises to explore simulation of molecules using molecular dynamics

Showing all 6 listings

1.

How do we model the internal motions of a molecule? Stretching vibrations

Jun 12, 2023•4

2.

How do we model the internal motions of a molecule? Bending vibrations

Mar 11, 2018•1

3.

How do we model the internal motions of a molecule? Torsional vibrations

Mar 11, 2018•5

4.

How do we model the interactions between molecules (or between different parts of…

Jun 12, 2023•4

5.

What do we need to do before we can simulate molecular motion?

Jun 12, 2023•6

6.

Potential energy curves and minimization: A simple example

Jun 27, 2023•1