diff --git a/doc/html/Section_howto.html b/doc/html/Section_howto.html index a4c652a14f..ff7b7270e6 100644 --- a/doc/html/Section_howto.html +++ b/doc/html/Section_howto.html @@ -363,7 +363,7 @@ commands like bond_coeff. See Section_tools for additional tools that can use CHARMM or AMBER to assign force field coefficients and convert their output into LAMMPS input.

-

See (MacKerell) for a description of the CHARMM force +

See (MacKerell) for a description of the CHARMM force field. See (Cornell) for a description of the AMBER force field.

These style choices compute force field formulas that are consistent @@ -587,7 +587,7 @@ computations between frozen atoms by using this command:

6.7. TIP3P water model

The TIP3P water model as implemented in CHARMM -(MacKerell) specifies a 3-site rigid water molecule with +(MacKerell) specifies a 3-site rigid water molecule with charges and Lennard-Jones parameters assigned to each of the 3 atoms. In LAMMPS the fix shake command can be used to hold the two O-H bonds and the H-O-H angle rigid. A bond style of @@ -766,7 +766,7 @@ the partial charge assignemnts change:

H charge = 0.4238

-

See the (Berendsen) reference for more details on both +

See the (Berendsen) reference for more details on both the SPC and SPC/E models.

Wikipedia also has a nice article on water models.


@@ -2731,7 +2731,7 @@ pairs as chunks.

model, representes induced dipoles by a pair of charges (the core atom and the Drude particle) connected by a harmonic spring. The Drude model has a number of features aimed at its use in molecular systems -(Lamoureux and Roux):

+(Lamoureux and Roux):