ERROR: UNKNOWN COMMAND: colvarsTrajFrequency

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1

Dear all,

I built the lammps via following:

  1. wget http://lammps.sandia.gov/tars/lammps-stable.tar.gz
  2. tar -xvzf lammps-stable.tar.gz
  3. cd lammps-12Dec18
    4.cd src/MAKE
  4. sudo apt-get install build-essential
  5. sudo apt-get install libxaw7-dev
  6. cd …/STUBS
  7. make clean
  8. make
  9. cd …
  10. make clean-all
  11. make yes-user-colvars
  12. cd …/lib/colvars
  13. make -f Makefile.g++
    15.cd …/src
  14. make serial
    /src/lmp_serisl -in colvarequi.txt.

Finally executed the file attached (colvarequi.txt) below via: /home/deep/lammps-12Dec/src/lmp_serial -in colvarequi.txt
And the error we got is “UNKNOWN COMMAND: colvarsTrajFrequency”

NOTE: dump_equi_110174.cfg is a molecule input file used in colvarequi.txt

Please help us.

Thanking you in advance,
Deep Patel

colvarequi.txt (928 Bytes)

dump.equi_110174.cfg (72 KB)

2

Hello Deep, you are putting together LAMMPS commands with Colvars keywords: the latter should be included in a separate file, and given as argument to “fix colvars”.

https://lammps.sandia.gov/doc/fix_colvars.html

See also the examples in the examples/USER/colvars folder.