[gmx-users] trajectory error

spss4 at iacs.res.in spss4 at iacs.res.in
Thu Dec 26 09:50:58 CET 2019


Dear all
I have performed a 400 ns mdrun in GROMACS-2016.3. Due to some problem  
the job was stopped 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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