Dear Mark,
Thanks for your reply.
> PDB format needs atom names but trjcat only knows how to read those
> from a -s input file.
There is no -s option (for tpr file) in the trjcat command.
gmx_mpi trjcat -f 9_ms.pdb 19.pdb -o mix.pdb -settime -s md.tpr
Error in user input:
Invalid command-line options
Unknown command-line option -s
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