lammps/tools/moltemplate/examples/coarse_grained_examples/abstract_random_heteropolymer16eed7a05366master
lammps/tools/moltemplate/examples/coarse_grained_examples/abstract_random_heteropolymer
16eed7a05366master
abstract_random_heteropolymer
abstract_random_heteropolymer
README.TXT
README.TXT
This is an example of how to build a polymer out of randomly-chosen monomers.
In this case, monomers will be chosen at random from two types
(denoted "2bead" and "3bead", although you can have as many types as you like).
You can also constrain the end-caps to be a particular type (eg "3bead").
The properties of the bonds connecting monomers (ie length, rigidity) will
be automatically determined, depending on the type of monomers at that location
in the polymer. The same is true for the 3-body angle, and 4-body dihedral
interactions.
Instructions on how to build LAMMPS input files and
run a short simulation are provided in other README files.
step 1)
README_setup.sh
step2)
README_run.sh
In this case, monomers will be chosen at random from two types
(denoted "2bead" and "3bead", although you can have as many types as you like).
You can also constrain the end-caps to be a particular type (eg "3bead").
The properties of the bonds connecting monomers (ie length, rigidity) will
be automatically determined, depending on the type of monomers at that location
in the polymer. The same is true for the 3-body angle, and 4-body dihedral
interactions.
Instructions on how to build LAMMPS input files and
run a short simulation are provided in other README files.
step 1)
README_setup.sh
step2)
README_run.sh
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