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Bibliography
https://www-wales.ch.cam.ac.uk/OPTIM.doc/node67.html21 May 2024: Next: About this document. Up: OPTIM User Guide Previous:Bibliography. D. J. Wales, Energy Landscapes, Cambridge University Press, Cambridge (2003). 2. A. D. MacKerell, D. Bashford, M. Bellott, R. L. Dunbrack, J. D. Evanseck, M. J. Field, S. Fischer, -
LWOTP
https://www-wales.ch.cam.ac.uk/GMIN.doc/node38.html21 May 2024: 3 # three sites class 1 site 0.0 -0.528902226860823 0.0 orient 0.0 0.0 0.0 # 0.0, -2/3 sin 7pi/24, 0.0 class 1 site ... 0.608761429008721 0.264451113430412 0.0 orient 0.0 0.0 0.0 # cos 7pi/24, 1/3 sin 7pi/24, 0.0 class 1 site -0.608761429008721 -
Energy Landscapes: Frequently Asked Questions Thermodynamics The…
https://www-wales.ch.cam.ac.uk/FAQ.pdf4 May 2024: from the multiplicity of alternative routes mediated by different transition. states [24–26]. ... Rev. E 93,012906 (2016). [24] P. Metzner, C. Schütte and E. -
TIP4P
https://www-wales.ch.cam.ac.uk/GMIN.doc/node39.html21 May 2024: 0 0.0 0.0 matrix # lj sig eps rep att 1 1 lj 1.0 0.25 2510.4d3 2552.24 # need eps = 1/4 to cancel the 4.0 -
Example data Files
https://www-wales.ch.cam.ac.uk/GMIN.doc/node42.html21 May 2024: FREEZE. 21 22 23 24 25 26 27 28 29 30. -
Keywords
https://www-wales.ch.cam.ac.uk/OPTIM.doc/node4.html21 May 2024: DB epsbb epsab sigmabb sigmaab muD E: calls a finite system of dipolar Lennard-Jones dumbbells [24], where the electric field of strength E can be optionally present.
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