Assign frame numbers in a fake trr file

User discussions
1

GROMACS version: 2018.4
GROMACS modification: No
Here post your question:

I conducted simulated annealing 30 times in a for-loop cycle and I want to analyze the final frames from the end of every cycle. I combined final 30 structures (.gro) into a single trajectory file. Currently, frame number for each structure is zero. Is there a way to assign frame numbers say 1 to 30? I need this to know these frame numbers in order to select most representative structure from the cluster analysis output. Shown below is my current output
image

2

Any insights on this?

3

Convert the .gro file to a binary trajectory format like .xtc or .trr and set times (even if they are not meaningful) with options in trjconv.