From 5d3801cb1259ffc50b39a27e08842c9f0488b9de Mon Sep 17 00:00:00 2001
From: Evangelos Voyiatzis <evoyiatzis@gmail.com>
Date: Fri, 5 Apr 2019 15:50:58 +0200
Subject: [PATCH] Include info for COMPASS in the Howto section

---
 doc/src/Howto_bioFF.txt | 29 +++++++++++++++++++++++++++--
 1 file changed, 27 insertions(+), 2 deletions(-)

diff --git a/doc/src/Howto_bioFF.txt b/doc/src/Howto_bioFF.txt
index deb5b31441..ee53420723 100644
--- a/doc/src/Howto_bioFF.txt
+++ b/doc/src/Howto_bioFF.txt
@@ -7,12 +7,12 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 
 :line
 
-CHARMM, AMBER, and DREIDING force fields :h3
+CHARMM, AMBER, COMPASS and DREIDING force fields :h3
 
 A force field has 2 parts: the formulas that define it and the
 coefficients used for a particular system.  Here we only discuss
 formulas implemented in LAMMPS that correspond to formulas commonly
-used in the CHARMM, AMBER, and DREIDING force fields.  Setting
+used in the CHARMM, AMBER, COMPASS and DREIDING force fields.  Setting
 coefficients is done in the input data file via the
 "read_data"_read_data.html command or in the input script with
 commands like "pair_coeff"_pair_coeff.html or
@@ -50,6 +50,28 @@ older {charmm} styles.  See discussion of the differences on the "pair
 charmm"_pair_charmm.html and "dihedral charmm"_dihedral_charmm.html
 doc pages.
 
+COMPASS is a general force field for atomistic simulation of 
+common organic molecules, inorganic small molecules, and polymers which
+was developed using ab initio and empirical parametrization techniques.
+See the "Tools"_Tools.html doc page for the msi2lmp tool for creating 
+LAMMPS template input and data files from BIOVIA’s Materias Studio files. 
+See "(Sun)"_#howto-Sun for a description of the COMPASS force field.
+
+These style choices compute force field formulas that are consistent
+with the COMPASS force field.  See each command's
+documentation for the formula it computes.
+
+"bond_style"_bond_class2.html class2
+"angle_style"_angle_class2.html class2
+"dihedral_style"_dihedral_class2.html class2
+"improper_style"_improper_class2.html class2 :ul
+
+"pair_style"_pair_class2.html lj/class2
+"pair_style"_pair_class2.html lj/class2/coul/cut
+"pair_style"_pair_class2.html lj/class2/coul/long :ul
+
+"special_bonds"_special_bonds.html lj/coul 0 0 1 :ul
+
 DREIDING is a generic force field developed by the "Goddard
 group"_http://www.wag.caltech.edu at Caltech and is useful for
 predicting structures and dynamics of organic, biological and
@@ -100,6 +122,9 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).
 [(Cornell)] Cornell, Cieplak, Bayly, Gould, Merz, Ferguson,
 Spellmeyer, Fox, Caldwell, Kollman, JACS 117, 5179-5197 (1995).
 
+:link(howto-Sun)
+[(Sun)] Sun, J. Phys. Chem. B, 102, 7338–7364 (1998).
+
 :link(howto-Mayo)
 [(Mayo)] Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909
 (1990).