fixed Trailing whitespaces in rst
This commit is contained in:
@ -96,7 +96,7 @@ The newer styles with *charmmfsw* or *charmmfsh* in their name replace energy sw
|
||||
C(r) \frac{\displaystyle (b-r)^2}{\displaystyle r b^2}, & r \leq b \\
|
||||
0, & r > b
|
||||
\end{cases}
|
||||
|
||||
|
||||
.. image:: img/howto_charmmfsw_ELJ.png
|
||||
:align: center
|
||||
|
||||
@ -104,7 +104,6 @@ The newer styles with *charmmfsw* or *charmmfsh* in their name replace energy sw
|
||||
|
||||
These styles are used by LAMMPS input scripts generated by `charmm-gui.org <https://charmm-gui.org/>`_ :ref:`(Brooks) <howto-Brooks>`. A `minimal PDB example 1HVN <https://www.rcsb.org/structure/1HVN>`_ with at least one protein segment, at least one DNA segment, and no modified engineered residues is available in the ``lammps/examples/charmm/1hvn`` directory. A better example is `PDB 2CV5 <https://www.rcsb.org/structure/2CV5>`_ with size too big to include in lammps examples, which is left as an exercise to the reader (go to charmm-gui.org and type in 2CV5 in PDB field of Solution Builder to generate LAMMPS scripts to simulate a solvated human nucleosome with histone octamer and dsDNA wrapped around it).
|
||||
|
||||
|
||||
.. note::
|
||||
|
||||
For CHARMM, newer *charmmfsw* or *charmmfsh* styles were released in
|
||||
@ -112,8 +111,7 @@ These styles are used by LAMMPS input scripts generated by `charmm-gui.org <http
|
||||
styles. See discussion of the differences on the :doc:`pair charmm
|
||||
<pair_charmm>` and :doc:`dihedral charmm <dihedral_charmm>` doc
|
||||
pages.
|
||||
|
||||
|
||||
|
||||
COMPASS
|
||||
-------
|
||||
|
||||
|
||||
Reference in New Issue
Block a user