A molecular dynamics program for arbitrary molecular mixtures is presented. All intramolecular degrees of freedom are treated explicitly, which means that the program is based on central forces only. A double time step technique has been devised in order to separate rapidly varying, covalent forces
A general purpose parallel molecular dynamics simulation program
β Scribed by Kwang Jin Oh; Michael L. Klein
- Book ID
- 108107368
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 155 KB
- Volume
- 174
- Category
- Article
- ISSN
- 0010-4655
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