Hi,
I am working with LAMMPS 2001 (Fortran version) and I was wondering if there is any way to define a fixed bond length via the input file.
I am trying to introduce a cluster of atoms inside a domain filled with simple Lennard-Jones fluid. the cluster would have a specific shape that would retain its through out the simulation. the cluster would interact with other atoms in the domain via Lennard-Jones interaction.
I have tried to use harmonic bond between the atoms in the cluster with high constant but that was not successful. If you have any suggestion that would be very appreciated
thanks,
Hi,
I am working with LAMMPS 2001 (Fortran version) and I was wondering if there
is any way to define a fixed bond length via the input file.
I am trying to introduce a cluster of atoms inside a domain filled with
simple Lennard-Jones fluid. the cluster would have a specific shape that
would retain its through out the simulation. the cluster would interact with
other atoms in the domain via Lennard-Jones interaction.
Axel already answered you. Upgrade, upgrade, upgrade (to the latest
version of Lammps).
I have tried to use harmonic bond between the atoms in the cluster with high
constant but that was not successful. If you have any suggestion that would
be very appreciated
If you stiffen the bonds you have to decrease the timestep to ensure
energy conservation otherwise your dynamics
will be bogus.
Carlos