Fourier dihedral & {\tts dihedrals} & 4 & 5 & $C_1$, $C_2$, $C_3$, $C_4$ (\kJmol) & all & \ssecref{Fourierdihedral} \\
tabulated dihedral & {\tts dihedrals} & 4 & 8 & table number ($\geq 0$); $k$ (\kJmol) & $k$ & \ssecref{tabulatedinteraction} \\
proper dihedral (multiple) & {\tts dihedrals} & 4 & 9 & $\phi_s$ (deg); $k_\phi$ (\kJmol); multiplicity & $\phi,k$ & \ssecref{properdihedral} \\
-restricted dihedral & {\tts dihedrals} & 4 & 11 & $\phi_0$ (deg); $k_\phi$ (\kJmol) & & \ssecref{ReT} \\
-combined bending-torsion potential & {\tts dihedrals} & 4 & 10 & $a_0$, $a_1$, $a_2$, $a_3$, $a_4$ (\kJmol) & & \ssecref{CBT} \\
+restricted dihedral & {\tts dihedrals} & 4 & 10 & $\phi_0$ (deg); $k_\phi$ (\kJmol) & & \ssecref{ReT} \\
+combined bending-torsion potential & {\tts dihedrals} & 4 & 11 & $a_0$, $a_1$, $a_2$, $a_3$, $a_4$ (\kJmol) & & \ssecref{CBT} \\
exclusions & {\tts exclusions} & 1 & & one or more atom indices & & \tsecref{excl} \\
constraint & {\tts constraints}\fnm{4} & 2 & 1 & $b_0$ (nm) & all & \sssecref{constraints},\tsecref{constraints} \\
constraint\fnm{6} & {\tts constraints} & 2 & 2 & $b_0$ (nm) & all & \sssecref{constraints},\tsecref{constraints},\tsecref{excl} \\
"S. Páll, M. J. Abraham, C. Kutzner, B. Hess, E. Lindahl",
"Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS",
"In S. Markidis & E. Laure (Eds.), Solving Software Challenges for Exascale",
- 8759, 2015, "3–27" }
+ 8759, 2015, "3-27" }
};
#define NSTR (int)asize(citedb)