Dear Grace,
You are best off taking a look at the ptraj code in AMBER 8. This has
routines for reading AMBER and CHARMM trajectory files, both in ascii format
and binary format.
In particular see $AMBERHOME/src/ptraj/trajectory
See the routine readCharmmTrajectory().
Note with binary files they can often be machine specific (BIG Endian vs
Little Endian, 32 bit vs 64 bit etc) so be careful.
All the best
Ross
/\
\/
|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk/ | PGP Key available on request |
> -----Original Message-----
> From: owner-amber.scripps.edu
> [mailto:owner-amber.scripps.edu] On Behalf Of Grace Li
> Sent: 19 August 2004 11:20
> To: amber.scripps.edu
> Subject: AMBER: how to read in CHARMM or AMBER binary trajectories
>
>
> Dear Amber users,
>
> I would like to implement my own analysis program and one of
> the functions
> I need is to be able to read in binary trajectories (AMBER or CHARMM)
>
> Does anyone know how I can go about doing this? That is, what
> is the file
> format ..etc.
>
> Much Thanks!
>
> Grace
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Received on Fri Aug 20 2004 - 02:53:01 PDT
