Charmm2lammps showing 0 atom types present

Hi all,

I have built a model of my system using psfgen and have got pdb files and psf files. I wish to use charmm2lammps to convert these to lammps. However when I use charmm2lammps I get this error message:

charmm2lammps v1.9.2 (c)2005-2018

Info: using Homo_sapien.pdb instead of Homo_sapien.crd
Info: lx not set: will use extremes
Info: ly not set: will use extremes
Info: lz not set: will use extremes
Info: creating PSF index
Info: converting atoms
Warning: 0 atom types present, but only 0 pair coeffs found
Info: converting bonds
Warning: bond parameter 1 for [ ] was not found
Info: converting angles
Warning: angle parameter 1 for [ ] was not found
Info: converting dihedrals
Warning: dihedral parameter 1 for [ ] was not found
Info: converting impropers
Warning: improper parameter 1 for [ ] was not found
Info: conversion complete

These are my input files:

Did you write a CHARMM or X-PLOR style (the default) PSF file in psfgen?

P.S.: you have not properly exported your google drive folder for sharing, so I cannot access your google drive files.

Yes I believe I did. Sorry about the google drive, hopefully this should work: charmm2lammps - Google Drive

When I look at your .psf file, I see that all atom types are set to -1.

The order of the columns in PSF files (according to the psfgen docs) are supposed to be:
atom ID, segment name, residue ID, residue name, atom name, atom type, charge, mass, and an unused 0. With the CHARMM format the atom type would be a number > 0, with the X-PLOR format a string.

   39267 !NATOM
       1 A    1    GLN  N      -1  -0.300000       14.0070           0
       2 A    1    GLN  HT1    -1   0.330000        1.0080           0
       3 A    1    GLN  HT2    -1   0.330000        1.0080           0
       4 A    1    GLN  HT3    -1   0.330000        1.0080           0
       5 A    1    GLN  CA     -1   0.210000       12.0110           0
       6 A    1    GLN  HA     -1   0.100000        1.0080           0
       7 A    1    GLN  CB     -1  -0.180000       12.0110           0

Without the chance to identify atom types, cannot function, since the atom types are crucial for identifying the force field parameters, bonded and non-bonded. If I look at the two examples in tools/ch2lmp/example/ and tools/ch2lmp/example-cmap/ they seem to be using either convention. But in both cases, the atom types can be identified, unlike in yours.

Ah ok thank you