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Fixes bug of missing list bullets in tutorial_drude #73

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12 changes: 10 additions & 2 deletions doc/src/tutorial_drude.txt
Expand Up @@ -5,6 +5,14 @@
MathJax.Hub.Config({ TeX: { equationNumbers: {autoNumber: "AMS"} } });
</script>

"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)

:line

Tutorial for Thermalized Drude oscillators in LAMMPS :h3

This tutorial explains how to use Drude oscillators in LAMMPS to
Expand Down Expand Up @@ -52,14 +60,14 @@ constant \(k_D\) = 4184 kJ/(mol Ang \(\{\}^2\)) - for all types of \
core-Drude bond, a global mass \(m_D\) = 0.4 g/mol (or u) for all types \
of Drude particles, and to calculate the Drude charges for individual \
atom types from the atom polarizabilities using equation (1). This \
choice is followed in the polarizable CHARMM force field. :olb,l
choice is followed in the polarizable CHARMM force field. :ulb,l
Alternately "Schroeder and Steinhauser"_#Schroeder suggest adopting a global \
charge \(q_D\) = -1.0e and a global mass \(m_D\) = 0.1 g/mol (or u) \
for all Drude particles, and to calculate the force constant for each \
type of core-Drude bond from equation (1). The timesteps used by these \
authors are between 0.5 and 2 fs, with the degrees of freedom of the \
Drude oscillators kept cold at 1 K. :l
In both these force fields hydrogen atoms are treated as non-polarizable. :ole,l
In both these force fields hydrogen atoms are treated as non-polarizable. :ule,l


The motion of of the Drude particles can be calculated by minimizing
Expand Down

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