[gmx-users] trr-file format

[Bert de Groot]

> > to read/write XDR and they are also present in the standard libraries
> > on unix.
> >
> You can probably just link to the gromacs library as well, just take
> care that to pass the right arguments.
>
> Furthermore there is a fortran interface to the xtc files somewhere.
>
> > Cheers,
> >
> > Erik
> >
> >
> >
> > On Wednesday, Mar 19, 2003, at 07:26 US/Pacific, Andre Farias de Moura
> > wrote:
> >
> > >
> > > dear all,
> > >
> > > I would like to know the fortran format of
> > > trr-files, so it would become much easier
> > > to write analyses programs (at present I'm
> > > using ASCII files generated by redirecting
> > > gmxdump output, but that's not reasonable
> > > if trajectories reach 10 ns or longer...)
> > >
> > > (a similar request was made some weeks ago
> > > in this mailing list, but I haven't seen
> > > any reply since then)
> > >
> > > thanks in advance,
> > >
> > > andre
> > >
> > > /-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/
> > >       André Farias de Moura
> > >   Laboratório de Química Teórica
> > > Universidade Federal de São Carlos
> > >      São Carlos - SP - Brasil
> > > /-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/
> > >
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> > ------------------------------------------------------------------------
> > -----
> > Erik Lindahl, MSc, PhD     <lindahl at stanford.edu>
> > D109, Fairchild Building
> > Dept. Structural Biology, Stanford University School of Medicine
> > Tel. 650-7250754    Fax. 650-7238464
> >
> --
> Groeten, David.
> ________________________________________________________________________
> Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
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Bert

____________________________________________________________________________
Dr. Bert de Groot

Max Planck Institute for Biophysical Chemistry
Theoretical molecular biophysics group
Am Fassberg 11
37077 Goettingen, Germany

tel: +49-551-2011306, fax: +49-551-2011089

email: bgroot at gwdg.de
http://www.mpibpc.gwdg.de/abteilungen/071/bgroot
____________________________________________________________________________