Here we will post a running list of bugs and their status, as well as improvements to the code and new features. Please check back occasionally to verify that you are using the most up-to-date version of GridMAT-MD. Also, let us know if there is a feature you would like to see implemented, or if you have added something new!
- Bug fix: Cleaned up STDOUT. Fixed by WJA, 4/18/2013.
- Bug fix: Several new and descriptive errors/warnings added. Fixed by WJA, 4/18/2013.
- Bug fix: The CRYST1 record is now properly pulled from .pdb files. Fixed by WJA, 4/18/2013.
- New feature: Multi-frame .pdb and .gro files can now be processed. Added by WJA, 4/18/2013.
- New feature: An arbitrarily large number of lipids can be considered in each coordinate file. Added by WJA, 4/18/2013.
- New feature: Three types of output file formats can be generated (column, vector, matrix). Added by WJA, 4/18/2013.
- New feature: The output filename prefix is now customizable. Added by WJA, 4/18/2013.
- Updated documentation: New information has been added, especially concerning file preparation and updated options in the parameter file. Added by WJA, 4/18/2013.
- Bug fix: Incorrect handling of residue names in .pdb files. Fixed by WJA, 12/15/2009.
- New feature: Output is now compatible with Gnuplot, via a post-processing script. Added by JAL, 6/29/2009.
- Updated documentation: New information about how to use Gnuplot. Added by JAL, 6/29/2009.
- New feature: Compatibility with .pdb files as input. Added by WJA, 1/15/2009.
- Updated documentation: Additional information about output format and how to use Xmatrix. Added by JAL, 2/4/2009.
- Bug fix: Incorrect thickness calculations in the absence of solvent. Fixed by WJA, 12/4/2008.
- Known bug: Residue names in .gro files longer than 4 characters are not processed correctly
- * This probably won't get fixed, since .gro format is fixed and proper renaming takes care of it.
- New feature: Radial thickness plots
- New feature: Compatibility with shuffled .gro files.
- * Since the introduction of Gromacs-4.0, shuffling has been eliminated. We may not end up adding this feature.