[gmx-users] trajectory error

spss4 at iacs.res.in spss4 at iacs.res.in
Fri Dec 27 11:20:19 CET 2019


Dear all

  I have performed a 400 ns mdrun in GROMACS-2016.3. Due to some  
problem the job was crushed then I rerun the simulation using   
state.cpt file (this happened few more times). The job is finished now  
but when I am trying to process the traj.trr file it shows an error  
after 20 ns and the program stop working.
    Fatal error
   Failed to find GROMACS magic number in trr frame header, so this is  
not a trr
   file!
How to solve this error? 


Thanks
Sunipa Sarkar


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