fix typos
This commit is contained in:
@ -257,7 +257,7 @@ then overrides them with 0.0 only for CHARMM:
|
||||
.. code-block:: LAMMPS
|
||||
|
||||
special_bonds amber
|
||||
pair_hybrid lj/charmm/coul/long 8.0 10.0 lj/cut/coul/long 10.0
|
||||
pair_style hybrid lj/charmm/coul/long 8.0 10.0 lj/cut/coul/long 10.0
|
||||
pair_modify pair lj/charmm/coul/long special lj/coul 0.0 0.0 0.0
|
||||
|
||||
The this input achieves the same effect:
|
||||
@ -265,7 +265,7 @@ The this input achieves the same effect:
|
||||
.. code-block:: LAMMPS
|
||||
|
||||
special_bonds 0.0 0.0 0.1
|
||||
pair_hybrid lj/charmm/coul/long 8.0 10.0 lj/cut/coul/long 10.0
|
||||
pair_style hybrid lj/charmm/coul/long 8.0 10.0 lj/cut/coul/long 10.0
|
||||
pair_modify pair lj/cut/coul/long special lj 0.0 0.0 0.5
|
||||
pair_modify pair lj/cut/coul/long special coul 0.0 0.0 0.83333333
|
||||
pair_modify pair lj/charmm/coul/long special lj/coul 0.0 0.0 0.0
|
||||
@ -279,7 +279,7 @@ effectively *lj/coul 0.0 0.0 0.5* as required for OPLS/AA:
|
||||
.. code-block:: LAMMPS
|
||||
|
||||
special_bonds lj/coul 1e-20 1e-20 0.5
|
||||
pair_hybrid tersoff lj/cut/coul/long 12.0
|
||||
pair_style hybrid tersoff lj/cut/coul/long 12.0
|
||||
pair_modify pair tersoff special lj/coul 1.0 1.0 1.0
|
||||
|
||||
For use with the various :doc:`compute \*/tally <compute_tally>`
|
||||
|
||||
Reference in New Issue
Block a user