Added reference for dihedral function in OPLS.

The OPLS four-term dihedral function was not described in the
reference listed earlier, so this was updated. Also updated
the reference to the three term dihedral to an older paper.

Change-Id: I3673572335a0fccaf6548c6adf38392af15e7964

diff --git a/docs/manual/forcefield.tex b/docs/manual/forcefield.tex
index 9d515bb51cec15dbcb660aac5fb522c8fb9cf903..cc63d51d0ad9560a3e0abd7076fd132fac7c7c2d 100644 (file)
--- a/docs/manual/forcefield.tex
+++ b/docs/manual/forcefield.tex
@@ -1,7 +1,7 @@
 %
 % This file is part of the GROMACS molecular simulation package.
 %
-% Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
+% Copyright (c) 2013,2014,2015,2016,2017, by the GROMACS development team, led by
 % Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
 % and including many others, as listed in the AUTHORS file in the
 % top-level source directory and at http://www.gromacs.org.
@@ -854,7 +854,7 @@ literature OPLS and RB parameters to {\bf kJ mol$^{-1}$} in {\gromacs}.\\
 \subsubsection{Proper dihedrals: Fourier function}
 \label{subsec:Fourierdihedral}
 The OPLS potential function is given as the first three
-or four~\cite{Jorgensen2005a} cosine terms of a Fourier series.
+~\cite{Jorgensen1996} or four~\cite{Robertson2015a} cosine terms of a Fourier series.
 In {\gromacs} the four term function is implemented:
 \beq
 V_{F} (\phi_{ijkl}) ~=~ \frac{1}{2} \left[C_1(1+\cos(\phi)) + C_2(

diff --git a/docs/manual/monster.bib b/docs/manual/monster.bib
index 6cb35bd3c5e96655ac896fe0155117e840ac6056..613bbbffc36217d1c4604defab10c0f57143049e 100644 (file)
--- a/docs/manual/monster.bib
+++ b/docs/manual/monster.bib
@@ -8787,3 +8787,11 @@ doi = "http://dx.doi.org/10.1016/j.softx.2015.06.001"
   volume =    9,
   pages =     {5430-5449}}
 
+@Article{Robertson2015a,
+  author =       {Michael J. Robertson and Julian Tirado-Rives and William L. Jorgensen},
+  title =        {Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field},
+  journal =      BTjctc,
+  year =         2015,
+  volume =    11,
+  pages =     {3499-3509}}
+