An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase

Journal of Computational Chemistry

Volumn 22, Issue 11, 2001, Pages 1205-1218

  Schuler, Lukas D ^a   Daura, Xavier ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Aliphatic hydrocarbons; Condensed phase properties; GROMOS96 force field 45A3; Molecular dynamics simulation

Indexed keywords

EID: 0035425883     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1078     Document Type: Article

References (4)

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2. Levitt, M. J Mol Biol 1974, 82, 393.
3. Levitt, M.; Hirshberg, M.; Sharon, R.; Daggett, V. Comput Phys Com 1995, 91, 215.
4. Hagler, A. T.; Huler, E.; Lifson, S. J Am Chem Soc 1974, 96, 5319.