lammps/tools/moltemplate/examples/coarse_grained/abstract_2bead_heteropolymer/moltemplate_files12150ffa7397lammm-devel
lammps/tools/moltemplate/examples/coarse_grained/abstract_2bead_heteropolymer/moltemplate_files
12150ffa7397lammm-devel
README.txt
README.txt
# In this example, we define two types of molecules: "H" and "P",
# both containing two atoms, whose ids (names) are "ca" and "r",
# and whose atom-types vary.
#
# "H" molecules: "P" molecules:
# ("hydrophobic") ("polar"/"hydrophilic")
#
# @HR @PR
# | |
# @CA @CA
#
# Eventually, we will connect multiple "H" and "P" molecules
# together to form a polymer, as shown below:
#
# @HR @HR
# | |
# _@CA_ _@CA_
# ... -.@CA-' `-@CA-' ` ...
# | |
# @PR @PR
#
# The "H" and "P" molecules both share the same type of
# backbone atom ("CA"), but have their own custom "r"
# sidechain atoms with different properties:
# The "HR" atoms belonging to "H" molecules are attracted to each other.
# The "PR" atoms in "P" molecules are not.
# both containing two atoms, whose ids (names) are "ca" and "r",
# and whose atom-types vary.
#
# "H" molecules: "P" molecules:
# ("hydrophobic") ("polar"/"hydrophilic")
#
# @HR @PR
# | |
# @CA @CA
#
# Eventually, we will connect multiple "H" and "P" molecules
# together to form a polymer, as shown below:
#
# @HR @HR
# | |
# _@CA_ _@CA_
# ... -.@CA-' `-@CA-' ` ...
# | |
# @PR @PR
#
# The "H" and "P" molecules both share the same type of
# backbone atom ("CA"), but have their own custom "r"
# sidechain atoms with different properties:
# The "HR" atoms belonging to "H" molecules are attracted to each other.
# The "PR" atoms in "P" molecules are not.
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