Dear Lammps-users,
I am a researcher working on a system consisting a mineral (montmorillonite), carbon dioxide and spc water. I had experience with Gromacs but I worry with the atom types for the mineral. I also tried working with DL_POLY (classic and v4.01), but it seems that there are limitations with either my system that the package cannot support.
Now, for LAMMPS, I read that it’s open source and it works well with CHARMM and AMBER forcefield (though it was also mentioned that it can work with other forcefields).
May I ask if this tool will work with PCFF?
Thank you very much.
Best regards,
Bick
Dear Lammps-users,
I am a researcher working on a system consisting a mineral (montmorillonite), carbon dioxide and spc water. I had experience with Gromacs but I worry with the atom types for the mineral. I also tried working with DL_POLY (classic and v4.01), but it seems that there are limitations with either my system that the package cannot support.
Now, for LAMMPS, I read that it's open source and it works well with CHARMM and AMBER forcefield (though it was also mentioned that it can work with other forcefields).
LAMMPS does not discriminate by force field, but by functional form of
the individual potential.
if it contains the suitable functional forms or they can be
represented by one of the tabulated
interaction styles, then LAMMPS can handle this. however, the downside
of this flexibility is
that _you_ have to generate a LAMMPS compatible input somehow, as
LAMMPS doesn't have
any "builder" included. only some (mostly unsupported) conversion
tools that need to be run
with care.
May I ask if this tool will work with PCFF?
yes, PCFF is one of the class-2 type force fields and those functional
forms are implemented.
see the LAMMPS documentation and also have a look at the mailing list
archive. this kind of
question pops up regularly and is answered regularly. google is your friend. 
cheers,
axel.