msi2lmp on windows 10 machne

Hi
I am using msi2lmp.exe (LAMMPS version 7 dec 2018 on Windows) for converting …\frc_file\clayff.frc into a lammps datafile.
I ran : …\bin\msi2lm.exe -frc clayff (as written in the README-msi2lmp.txt file) At this stage I have not yet added .car and .mdf files.
I got the following message : Unrecognized option: clayff
But clayff.frc is in the …\frc_file directory

Does it mean I should add the . car and .mdf files. Is the -class option for clayff = 1

Thanks a lot in advance
Pascal

Hi
I am using msi2lmp.exe (LAMMPS version 7 dec 2018 on Windows) for converting ..\frc_file\clayff.frc into a lammps datafile.

it makes zero sense to do that. a force field file has no coordinates,
no topology, no atoms, but a data file requires those and *only* the
specific force field terms for your specific system.

I ran : ..\bin\msi2lm.exe -frc clayff (as written in the README-msi2lmp.txt file) At this stage I have not yet added .car and .mdf files.

the readme file says:

USAGE: msi2lmp.exe <ROOTNAME> {-print #} {-class #} {-frc FRC_FILE}
                {-ignore} {-nocenter} {-shift # # #}

   -- msi2lmp.exe is the name of the executable
   -- <ROOTNAME> is the base name of the .car and .mdf files

ROOTNAME is not optional (only items in curly braces are).

I got the following message : Unrecognized option: clayff
But clayff.frc is in the ..\frc_file directory

that is because msi2lmp interprets -frc as the root name of your .car
and .mdf files and then expects clayff to be the first argument, which
it doesn't know anything about, obviously.

Does it mean I should add the . car and .mdf files.

you *must* at the *root name* of your .mdf and .car file. how else
should msi2lmp know which atom types to extract from the force field
and how to write the coordinates and topology to the data file.

axel.

Thanks a lot for your comments.
I understand now the role of .car and .mdf files.
Pascal

Hi
I am using msi2lmp.exe (LAMMPS version 7 dec 2018 on Windows) for converting ..\frc_file\clayff.frc into a lammps datafile.

it makes zero sense to do that. a force field file has no coordinates,
no topology, no atoms, but a data file requires those and *only* the
specific force field terms for your specific system.

I ran : ..\bin\msi2lm.exe -frc clayff (as written in the README-msi2lmp.txt file) At this stage I have not yet added .car and .mdf files.

the readme file says:

USAGE: msi2lmp.exe <ROOTNAME> {-print #} {-class #} {-frc FRC_FILE}
               {-ignore} {-nocenter} {-shift # # #}

  -- msi2lmp.exe is the name of the executable
  -- <ROOTNAME> is the base name of the .car and .mdf files

ROOTNAME is not optional (only items in curly braces are).

I got the following message : Unrecognized option: clayff
But clayff.frc is in the ..\frc_file directory

that is because msi2lmp interprets -frc as the root name of your .car
and .mdf files and then expects clayff to be the first argument, which
it doesn't know anything about, obviously.

Does it mean I should add the . car and .mdf files.

you *must* at the *root name* of your .mdf and .car file. how else
should msi2lmp know which atom types to extract from the force field
and how to write the coordinates and topology to the data file.

axel.