azTotMD: Software for non-constant force field molecular dynamics
azTotMD is software for classical and non-constant force field molecular dynamics simulation. Non-constant force field molecular dynamics consists of switching particle properties and interaction laws during runtime. This approach allows one to store different potentials for different oxidation stat...
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| Format: | Article |
| Language: | English |
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Elsevier
2019-07-01
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| Series: | SoftwareX |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352711018301389 |