GitLab

Remove what appears to be a debug message.

Minor optimization to sorting

[WIP]Fix byte handling to work for both Py2 and Py3

Further documentation updates for 6.2

Make sure files are appropriately closed by PDBFile()

can't validate the that this object does anything more than simply write without
exceptions (i.e., we can't tell if the DCD file is actually _valid_)

CustomIntegrator throws an exception if variable names are ambiguous

Python 3 compatitbility

Fixed a bug in neighbor list construction

Added Linux packaging script [WIP]