[gmx-users] Can not write a pdb file without atom names (concatenating 2 pdb files)

Andrew Bostick andrew.bostick1 at gmail.com
Thu Aug 3 10:30:44 CEST 2017

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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