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Commit b15f87e7 authored by John Chodera's avatar John Chodera
Browse files

Repeat PSF suggestion

parent 992eab16
......@@ -662,7 +662,9 @@ such as :file:`charmm36/water.xml`, which specifies the default CHARMM water mod
or include ``CONECT`` records specifying non-chemical ``H-H`` bonds in waters
can cause issues with the detection and parameter assignment for disulfide bonds.
Make sure the files you read in comply with the appropriate standards regarding
additional bonds and nonstandard residue definitions.
additional bonds and nonstandard residue definitions. If you're using files from
`CHARMM-GUI <http://charmm-gui.org/>`_, it's easiest to load
the PSF file directly, as discussed in Section :ref:`using-charmm-files`.
The converted parameter sets come from the `CHARMM36 July 2017 update <http://mackerell.umaryland.edu/charmm_ff.shtml>`_
and were converted using the `openmm-forcefields <https://github.com/choderalab/openmm-forcefields>`_ package and `parmed <https://github.com/parmed/parmed>`_.
......
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