"serialization/tests/TestSerializeAndersenThermostat.cpp" did not exist on "85da5e0f9018719e95350c76b483a2160c84d9d3"
Commit 1f54f70c authored by peastman's avatar peastman
Browse files

Fixed lots of errors in User Guide, especially in equations

parent 4fccce3e
......@@ -723,6 +723,12 @@ produce an error since no water parameters are defined:
forcefield = ForceField('amber10.xml')
Be aware that some force fields and water models include "extra particles", such
as lone pairs or Drude particles. Examples include the CHARMM polarizable force
field and all of the 4 and 5 site water models. To use these force fields, you
must first add the extra particles to the Topology. See section
:ref:`adding-or-removing-extra-particles` for details.
AMBER Implicit Solvent
======================
......@@ -1331,6 +1337,8 @@ Allowed values for :code:`positiveIon` are 'Cs+', 'K+', 'Li+', 'Na+', and
some force fields do not include parameters for all of these ion types, so you
need to use types that are supported by your chosen force field.
.. _adding-or-removing-extra-particles:
Adding or Removing Extra Particles
**********************************
......
......@@ -3553,7 +3553,7 @@ Hamiltonian is given by
.. math::
H=\sum _{k=1}^{n}\left(\frac{{p}_{{k}^{2}}}{2m}+E({q}_{k})+\frac{m({k}_{B}Tn)^{2}}{2h^{2}}({q}_{k}-{q}_{k-1})^{2}\right)
H=\sum _{k=1}^{n}\left(\frac{{p}_{{k}^{2}}}{2m}+E({q}_{k})+\frac{m({k}_{B}Tn)^{2}}{2\hbar^{2}}({q}_{k}-{q}_{k-1})^{2}\right)
This Hamiltonian resembles that of a system of classical ring polymers where
......@@ -3569,7 +3569,7 @@ needed to converge a calculation can be estimated using\ :cite:`Markland2008`\
.. math::
n>\frac{h\omega_{max}}{{k}_{B}T}
n>\frac{\hbar\omega_{max}}{{k}_{B}T}
where :math:`\omega_{max}` is the highest frequency in the problem. For example, for
......
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