Basic Bibliography |
H.-D. Holje & G. Folkers, Molecular Modeling: Basic Principles and Applications, VCH, Weinheim, 2008
Herman J. C. Berendsen, Simulating the Physical World: Hierarchical Modeling from Quantum Mechanics to Fluid Dynamics, Cambridge University Press, 2007
GROMACS 5.0.7 User manual: ftp://ftp.gromacs.org/pub/manual/manual-5.0.7.pdf,
Amber 2020 Reference User manual. https://ambermd.org/Manuals.php,
Daan Frenkel, Understanding Molecular Simulation: From Algorithms to Applications”, Computational Science Series, Vol 1, Academic Press, 2001
Michael P. Allen, Dominic J. Til, Computer Simulation of Liquids, 2ª, OUP Oxford, 2017
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