Dear lammps users,
I want to simulate SiCNT or BNNT that connected to two reservoirs of water. but I don’t Know what software appropriate to do this. I know that with VMD we can simulate BNNT only ,NOT SiCNT or the reservoirs of water. which program or software is appropriate for my goal? is there any program or input file for producing these data files?
please advice.
Best Wishes
Aisan
Dear lammps users,
I want to simulate SiCNT or BNNT that connected to two reservoirs of water.
but I don't Know what software appropriate to do this. I know that with VMD
we can simulate BNNT only ,NOT SiCNT or the reservoirs of water. which
program or software is appropriate for my goal? is there any program or
input file for producing these data files?
i don't think you'll find a software that will produce this straight
away in a fully automatic fashion.
you'll need to assemble your system from components. there are
different ways to do this, but they will require some form of
programming or tedious manual editing of files.
i disagree about the VMD assessment. it is rather straightforward to
generate a SiCNT topology from either a CNT or BNNT with a few lines
of VMD scripting. building a complete system as you desire will
require a sufficient level of familiarity with scripting and building
complex system topologies. i recommend to practice with something
simpler.
axel.