From fb11d6cb7892a20e1e324efc4ea12cc43e73fa95 Mon Sep 17 00:00:00 2001 From: Mark Abraham Date: Tue, 21 Mar 2017 11:14:15 +0100 Subject: [PATCH] Fix parameter description for dihedral_restraints The force-constant parameter for dihedral_restraints was not documented in the table of interaction types. Refs #2144 Change-Id: Iac28e88e966f1c2b7a8fe533e97abe94173470eb --- docs/manual/topology.tex | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/manual/topology.tex b/docs/manual/topology.tex index c92e3fd7be..603d3e2176 100644 --- a/docs/manual/topology.tex +++ b/docs/manual/topology.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. @@ -1310,7 +1310,7 @@ position restraint & {\ttss position_restraints} & 1 & 1 flat-bottomed position restraint & {\ttss position_restraints} & 1 & 2 & $g$, $r$ (nm), $k$ (\kJmolnm{-2}) & & \ssecref{fbpositionrestraint} \\ %restraint potential & {\tts bonds} & 2 & 10 & low, up$_1$, up$_2$ (nm); $k_{dr}$ (\kJmolnm{-2}) & & \ssecref{} \\ distance restraint & {\ttss distance_restraints} & 2 & 1 & type; label; low, up$_1$, up$_2$ (nm); weight () & & \ssecref{distancerestraint} \\ -dihedral restraint & {\ttss dihedral_restraints} & 4 & 1 & $\phi_0$ (deg); $\Delta\phi$ (deg); & all & \ssecref{dihedralrestraint} \\ +dihedral restraint & {\ttss dihedral_restraints} & 4 & 1 & $\phi_0$ (deg); $\Delta\phi$ (deg); $k_\mathrm{dihr}$ (\kJmolrad{-2}) & all & \ssecref{dihedralrestraint} \\ orientation restraint & {\ttss orientation_restraints} & 2 & 1 & exp.; label; $\alpha$; $c$ (U nm$^\alpha$); obs. (U); weight (U$^{-1}$) & & \ssecref{orientationrestraint} \\ angle restraint & {\ttss angle_restraints} & 4 & 1 & $\theta_0$ (deg); $k_c$ (\kJmol); multiplicity & $\theta,k$ & \ssecref{anglerestraint} \\ angle restraint (z) & {\ttss angle_restraints_z} & 2 & 1 & $\theta_0$ (deg); $k_c$ (\kJmol); multiplicity & $\theta,k$ & \ssecref{anglerestraint} \\ -- 2.11.4.GIT