> As I and you have mentioned, one will have the trajectory
> format problem
> when he/she run a long MD simulation with a big box (system).
> If you don't use iwrap during MD run, you will see ******* instead of
> coordinates.
If you use Amber 9 then you can write binary netCDF trajectory files and
then you shouldn't run into this problem.
All the best
Ross
/\
\/
|\oss Walker
| HPC Consultant and Staff Scientist |
| 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 Sun Jul 23 2006 - 06:07:13 PDT
