[gmx-developers] tpr format

[David van der Spoel]

nmichaud at jhu.edu wrote:
> Hello,
> 
> Is the tpr format documented anywhere (besides the source). I would like
> to use gromacs' geometric analysis tools for a simulation I did with
> NAMD. The trajectory I can convert from dcd to xtc, (is there also
> documentation for the trr/trj format), but require either a tpr, tpb
> or tpa (what is the difference between all these?) for most of the
> analysis tools.
> 
if you have a protein system it is quite simple using pdb2gmx. note that 
for most analyses you can use a pdb file as a reference as well.

> Naveen
> 
> ---------------------------------------------------------------------
> Naveen Michaud-Agrawal
> Program in Molecular Biophysics
> Johns Hopkins University
> (410) 614 4435
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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