GROMACS version: 2023.2
GROMACS modification: No
Hi. I performed my first MDS on an external server. I only retrieved the .trr .tpr .edr .xtc. I need to restore the .gro file used for production, as I deleted all data on my external server. I am using trjconv to do that with the following command:
gmx trjconv -f md_0.trr -dump 0 -s md_0.tpr -o md.gro
&
gmx trjconv -f md_0.trr -s md_0.tpr -o md.gro -b 0 -e 1
I select 0 for the entire system, but I get errors. The following is outputted:
trr version: GMX_trn_file (single precision)
Last frame -1 time 0.000
WARNING no output, last frame read at t=50100
Segmentation fault (core dumped)
I have already check the integrity of my files with gmx check and gmx dump.
I need the initial .gro state of the system because I am doing analysis of 2 docked proteins and I must create index file to perform rms analysis.
Thanks in advance!!