Hi,
The new TNG format and library do not affect other formats. So, if you
do not write/read TNG everything should work as before. There are some
TNG features that are not implemented yet in GROMACS, e.g. writing
energy data and/or other custom data. In a future version of GROMACS the
TNG format might be made the default format, but it is not tested enough
yet.
Best Regards,
Magnus
On 05/12/2014 01:53 PM, bernhard wrote:
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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