Dear LAMMPS users,
Is there a way to implement a Dreiding force field in the latest version of LAMMPS (Jan 2009). I only found an implementation for the 2001 version.
Any help would be great.
Thanks in advance
Lukas
Dear LAMMPS users,
Is there a way to implement a Dreiding force field in the latest version of LAMMPS (Jan 2009). I only found an implementation for the 2001 version.
Any help would be great.
Thanks in advance
Lukas
Someone from Bill Goddard's group did some implementation
on this a while back, but it hasn't made it into the released version.
Basically as I recall, adding a couple pair styles that included
the hydrogen bonding. I know of no implementation for
the 2001 version. If you want his files, I can send them to you.
Steve