Hi All,
I just wanted to follow up on the information I posted a few weeks ago about
the provisional MPI parallel implementation and performance improvements in
ptraj to also thank Eric Absgarten from Carlos's lab. Eric did a lot of the
initial work in implemented the frames based approach to file I/O that is
now a standard part of ptraj for AMBERTools 1.3 and allows for the random
searching of trajectory files, even ASCII ones. I hope anyone who has tried
out ptraj in AMBERTools 1.3 has noticed the enormous impact these
improvements have, especially when accessing parts of trajectory files.
I just want to thank Eric publically for this contribution and hopefully you
can all encourage him to keep working on improving various parts of AMBER
and AMBERTools.
All the best
Ross
/\
\/
|\oss Walker
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
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Received on Thu Oct 22 2009 - 16:30:02 PDT
