Merge pull request #1009 from leeping/master

AMBER-FB15 protein force field parameters

docs-source/usersguide/application.rst

@@ -775,7 +775,9 @@ File                           Force Field
 :code:`amber99sbnmr.xml`       Amber99SB with modifications to fit NMR data\ :cite:`Li2010`
 :code:`amber03.xml`            Amber03\ :cite:`Duan2003`
 :code:`amber10.xml`            Amber10 (documented in the AmberTools_ manual as `ff10`)
-:code:`amoeba2009.xml`         AMOEBA 2009\ :cite:`Ren2002`.  This force field is deprecated.  It is
+:code:`amberfb15.xml`          AMBER-FB15\ :cite:`Wang2017`. Intramolecular parameters optimized with
+                               ForceBalance using high-level ab initio data.
+:code:`amoeba2009.xml`         AMOEBA 2009\ :cite:`Ren2002`.  This force field is deprecated.  It is 
                                recommended to use AMOEBA 2013 instead.
 :code:`amoeba2013.xml`         AMOEBA 2013\ :cite:`Shi2013`
 :code:`charmm_polar_2013.xml`  CHARMM 2013 polarizable force field\ :cite:`Lopes2013`

docs-source/usersguide/references.bib

@@ -518,6 +518,18 @@
    type = {Journal Article}
 }
 
+@article{Wang2017
+   author = {Wang, Lee-Ping and McKiernan, Keri A. and Gomes, Joseph and Beauchamp, Kyle A. and Head-Gordon, Teresa and Rice, Julia E. and Swope, William C. and Martínez, Todd J. and Pande, Vijay S.},
+   title = {Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15},
+   journal = {Journal of Physical Chemistry B},
+   volume = {0},
+   number = {ja},
+   pages = {null},
+   year = {2017},
+   type = {Journal Article}
+   doi = {10.1021/acs.jpcb.7b02320},
+}
+
 @article{Wennberg2015
    author = {Wennberg, Christian L. and Murtola, Teemu and Páll, Szilárd and Abraham, Mark J. and Hess, Berk and Lindahl, Erik},
    title = {Direct-Space Corrections Enable Fast and Accurate {Lorentz–Berthelot} Combination Rule {Lennard-Jones} Lattice Summation},
@@ -528,4 +540,3 @@
    year = {2015},
    type = {Journal Article}
 }
-