"Library for converting molecular topologies"
Project description
Documentation
=============
Plese see http://github.com/resal81/pytopol
History
-------
0.1.4 (2013-09-17)
++++++++++++++++++
* Faster pair generation
* Switch to gromacs 4.6.3-double for tests
* Fixed a bug for multi-chain systems
0.1.3 (2013-09-16)
++++++++++++++++++
* The conversion part wa rewritten to make it more flexible.
* Cholestrol test is now passed.
0.1.2 (2013-09-15)
++++++++++++++++++
* NBFIX section is now parsed. So the results for molecules with NBFIX parameters
such as cholesterol, match better between NAMD and GROMACS.
0.1.1 (2013-09-02)
++++++++++++++++++
* Updates to Readme and License.
0.1.0 (2013-08-25)
++++++++++++++++++
* First release on PyPI.
=============
Plese see http://github.com/resal81/pytopol
History
-------
0.1.4 (2013-09-17)
++++++++++++++++++
* Faster pair generation
* Switch to gromacs 4.6.3-double for tests
* Fixed a bug for multi-chain systems
0.1.3 (2013-09-16)
++++++++++++++++++
* The conversion part wa rewritten to make it more flexible.
* Cholestrol test is now passed.
0.1.2 (2013-09-15)
++++++++++++++++++
* NBFIX section is now parsed. So the results for molecules with NBFIX parameters
such as cholesterol, match better between NAMD and GROMACS.
0.1.1 (2013-09-02)
++++++++++++++++++
* Updates to Readme and License.
0.1.0 (2013-08-25)
++++++++++++++++++
* First release on PyPI.
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