[gmx-users] Gromacs 5, TNG, and older trajectory formats

bernhard morpheus.sommer2008 at gmail.com
Mon May 12 13:53:38 CEST 2014


Dear Gromacs users,

It seems that with the next Gromacs release (version 5) a new trajectory
format (TNG) is released
(http://www.ncbi.nlm.nih.gov/pubmed/24258850<https://owa.nexus.ox.ac.uk/owa/redir.aspx?C=aw1JeMDTs0OcYTAyS2m_6bqPxDJkQdEICHjWbnGG5slVmpMZvcBZQDWeDVelrmM3o9q5y6ZUKhc.&URL=http%3a%2f%2fwww.ncbi.nlm.nih.gov%2fpubmed%2f24258850>).
I was wondering if the new TNG library influences the way how previous
formats (e.g. trr or xtc) are processed? In the source of the Gromasc 5
pre-release I still found the libxdrf code for reading and writing these
files. Is the TNG library dealing with the TNG format only and leaves the
other formats untouched or are there differences to be expected how e.g.
trr and xtc are handled?

All the best,
Morpheus


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