[gmx-developers] rebuild the .traj file from .gro files

Ana West awest5 at emory.edu
Fri Feb 20 00:25:49 CET 2009


I ran a series of important simulations and I do not have my topol.tpr 
or traj.trr files anymore. I do however still have the confout.gro 
files for all the frames composing my trajectories. Is there a way for 
me to reconstruct my traj.trr files and the topol.tpr files from the  
confout.gro files and topol.top files?

Using gmxdump I learned of the type of information contained in a 
binary .tpr and .trr file. However, I do not seem to figure out how to 
convert the ASCII files to their corresponding binary files. Do you 
guys have any suggestions for me?

Thank you,


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