[gmx-users] Format of .trr file

sudipta sinha sudipta.mml at gmail.com
Sun Mar 24 00:50:42 CET 2013


Hi Everyone,

I want to read the .trr file using fortran for analyzing the trajectories. However, I didn't find the file format of it in the gromacs website. I had searched a lot in google but I didn't succedd. There is some indirect approach for doing that by using gromacs tool such as trjconv etc (i,e converting binary to ascii).  However, I want to read those files by fortran because the size of my file is very big (5GB) and I can't handle by that way. Can anyone share the format or some small fortran script for doing this. That information will be great help for me and also for other people. This is because, I have seen several archives of this topic in mailing list but there are no answers.  Please help me out in this regard.

Thanks in advance
Sudipta   


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