2003
DOI: 10.2307/j.ctt6wq4b5
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Great Chiasmus

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“…Potential F is the fitted ab initio surface described above. Potential A uses pairwise Lennard-Jones parameters shown in Table , taken directly from the Autodock , molecular modeling package. In potential S, the Autodock LJ parameters were scaled uniformly to produce a spherically averaged potential with the same well depth ε and position r e as potential F. The LJ σ parameters were uniformly reduced by 15% and ε increased by 6%.…”
Section: Resultsmentioning
confidence: 99%
“…Potential F is the fitted ab initio surface described above. Potential A uses pairwise Lennard-Jones parameters shown in Table , taken directly from the Autodock , molecular modeling package. In potential S, the Autodock LJ parameters were scaled uniformly to produce a spherically averaged potential with the same well depth ε and position r e as potential F. The LJ σ parameters were uniformly reduced by 15% and ε increased by 6%.…”
Section: Resultsmentioning
confidence: 99%