[gmx-users] GROMACS file formats

[Mark Abraham]

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.

Mark