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resolve toctree and paper anchor issues
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@ -148,7 +148,7 @@ END_RST -->
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<!-- HTML_ONLY -->
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"CHARMM, AMBER, and DREIDING force fields"_Howto_bioFF.html
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"CHARMM, AMBER, COMPASS, and DREIDING force fields"_Howto_bioFF.html
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"TIP3P water model"_Howto_tip3p.html
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"TIP4P water model"_Howto_tip4p.html
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"SPC water model"_Howto_spc.html :all(b)
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@ -10,7 +10,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
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TIP3P water model :h3
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The TIP3P water model as implemented in CHARMM
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"(MacKerell)"_#howto-MacKerell specifies a 3-site rigid water molecule with
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"(MacKerell)"_#howto-tip3p specifies a 3-site rigid water molecule with
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charges and Lennard-Jones parameters assigned to each of the 3 atoms.
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In LAMMPS the "fix shake"_fix_shake.html command can be used to hold
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the two O-H bonds and the H-O-H angle rigid. A bond style of
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@ -60,6 +60,10 @@ models"_http://en.wikipedia.org/wiki/Water_model.
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:line
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:link(howto-tip3p)
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[(MacKerell)] MacKerell, Bashford, Bellott, Dunbrack, Evanseck, Field,
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Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).
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:link(Jorgensen1)
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[(Jorgensen)] Jorgensen, Chandrasekhar, Madura, Impey, Klein, J Chem
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Phys, 79, 926 (1983).
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