lammps/tools/moltemplate/examples/force_field_OPLSAA/methane61e71d23ededmaster
lammps/tools/moltemplate/examples/force_field_OPLSAA/methane
61e71d23ededmaster
methane
methane
README.TXT
README.TXT
This example demonstrates how to build a simulation containing a box of methane.
(Not a very interesting example.)
---- Details ----
The methane molecules in this example use the OPLSAA force-field.
This means that the database of force-field parameters in "oplsaa.lt"
will be used to generate angles, dihedrals, and impropers.
The "moltemplate_files/methane.lt" file
contains these lines which refer to OPLSAA:
import "oplsaa.lt"
Methane inherits OPLSAA { ...
-------- Instructions: ---------
More detailed instructions on how to build LAMMPS input files and
run a short simulation are provided in other README files.
step 1)
README_setup.sh
step 2)
README_run.sh
(Not a very interesting example.)
---- Details ----
The methane molecules in this example use the OPLSAA force-field.
This means that the database of force-field parameters in "oplsaa.lt"
will be used to generate angles, dihedrals, and impropers.
The "moltemplate_files/methane.lt" file
contains these lines which refer to OPLSAA:
import "oplsaa.lt"
Methane inherits OPLSAA { ...
-------- Instructions: ---------
More detailed instructions on how to build LAMMPS input files and
run a short simulation are provided in other README files.
step 1)
README_setup.sh
step 2)
README_run.sh
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