Merge branch release-5-0 into release-5-1
authorMark Abraham <mark.j.abraham@gmail.com>
Sat, 8 Aug 2015 13:56:03 +0000 (15:56 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Sat, 8 Aug 2015 13:57:19 +0000 (15:57 +0200)
No conflicts

Change-Id: I551220310b529542d4cc3635815101cf53b325ec

docs/manual/topology.tex
src/gromacs/gmxlib/copyrite.cpp

index 2f5b1020151f853263b490da15ae1ffae422774b..7a0e6ed388eab55d2a404a7b798e17d0a2001d78 100644 (file)
@@ -1274,8 +1274,8 @@ periodic improper dihedral         & {\tts dihedrals}               & 4     & 4
 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} \\
index 726edde72b4568bc45318d14b5cd54a24ac41485..eec004128d0020526f3a0ba81b1169e90ab1309f 100644 (file)
@@ -609,7 +609,7 @@ void please_cite(FILE *fp, const char *key)
           "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, "327" }
+          8759, 2015, "3-27" }
     };
 #define NSTR (int)asize(citedb)