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For classroom study - wouldn't straight javascript suffice for basic classical molecular dynamics? That approach would also make it much easier for students to
by infinite8s 9y ago
For classroom study - wouldn't straight javascript suffice for basic classical molecular dynamics? That approach would also make it much easier for students to play around with different update algorithms, temperature control, etc.
- genericpseudo 9y agoThat would involve a) writing yourself an engine and that's actual work b) that engine not being one which is used in real research So "it depends" – for introductory teaching yes, for training researchers less so.