"openmmapi/src/VelocityVerletIntegrator.cpp" did not exist on "a7ab275380d95de17c2c0175f046ac5216dfb17f"
Commit 7139275a authored by Peter Eastman's avatar Peter Eastman
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Minor updates to documentation

parent 6391f721
...@@ -1915,7 +1915,9 @@ contains the following tags: ...@@ -1915,7 +1915,9 @@ contains the following tags:
name is recommended, since it makes the residue definition much easier to name is recommended, since it makes the residue definition much easier to
understand.) understand.)
* An :code:`<ExternalBond>` tag for each atom that will be bonded to an * An :code:`<ExternalBond>` tag for each atom that will be bonded to an
atom of a different residue. atom of a different residue. :code:`atomName` is the name of the atom.
(Alternatively, the deprecated :code:`from` tag may indicate the atom by
index instead of name.)
The :code:`<Residue>` tag may also contain :code:`<VirtualSite>` tags, The :code:`<Residue>` tag may also contain :code:`<VirtualSite>` tags,
...@@ -1941,8 +1943,11 @@ be represented with a virtual site. The :code:`type` attribute may equal ...@@ -1941,8 +1943,11 @@ be represented with a virtual site. The :code:`type` attribute may equal
OutOfPlaneSite, and LocalCoordinatesSite classes respectively. The :code:`siteName` OutOfPlaneSite, and LocalCoordinatesSite classes respectively. The :code:`siteName`
attribute gives the name of the atom to represent with a virtual site. The atoms attribute gives the name of the atom to represent with a virtual site. The atoms
it is calculated based on are specified by :code:`atomName1`\ , :code:`atomName2`\ , it is calculated based on are specified by :code:`atomName1`\ , :code:`atomName2`\ ,
and (for virtual site classes that involve three atoms) :code:`atomName3`\ . The and (for virtual site classes that involve three atoms) :code:`atomName3`\ .
remaining attributes are specific to the virtual site class, and specify the (Some old force fields use the deprecated tags :code:`index`, :code:`atom1`,
:code:`atom2`, and :code:`atom3` to refer to them by index instead of name.)
The remaining attributes are specific to the virtual site class, and specify the
parameters for calculating the site position. For a TwoParticleAverageSite, parameters for calculating the site position. For a TwoParticleAverageSite,
they are :code:`weight1` and :code:`weight2`\ . For a they are :code:`weight1` and :code:`weight2`\ . For a
ThreeParticleAverageSite, they are :code:`weight1`\ , :code:`weight2`\ , and ThreeParticleAverageSite, they are :code:`weight1`\ , :code:`weight2`\ , and
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