I obtained an initial SPC/E configuration from
http://lammps.sandia.gov/bench/bench_spce.tar.gz (i.e. the data.spce
file) and then used the "replicate" and "fix deform" commands to get
an elongated box of the shape I wanted. Worked great.
Stan
I obtained an initial SPC/E configuration from
http://lammps.sandia.gov/bench/bench_spce.tar.gz (i.e. the data.spce
file) and then used the "replicate" and "fix deform" commands to get
an elongated box of the shape I wanted. Worked great.
Stan