Mark Abraham wrote:
Santanu Ch wrote:
Hi,
I am looking for the documentation of GROMACS trajectory output
file format and
GROMACS .tpr file format. We have our own MD simualation program which
is based on CHARMM.
We would like to make this program output simulation trajectories in
GROMACS (so that we
can use some of the programs included in GROMACS for analysis).
Google sends me to this blank page :
http://www.gromacs.org/documentation/reference/online/trr.html.
I will appreciate if anyone can point me to the current website for
this.
During the transition period, prefixing "old" will mostly work: viz
http://oldwww.gromacs.org/documentation/reference/online/trr.html
I think the best/only source of documentation for the trr format will be
the source code.
Sorry about the website mess.
You may also want to look into the libxdrfile that we recently released.
It allows you to read/write gromacs trajectories from your own code.
Mark
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David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
Dept. of Cell and Molecular Biology, Uppsala University.
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