const char *desc[] = {
"[TT]g_dipoles[tt] computes the total dipole plus fluctuations of a simulation",
"system. From this you can compute e.g. the dielectric constant for",
- "low dielectric media.",
+ "low-dielectric media.",
"For molecules with a net charge, the net charge is subtracted at",
"center of mass of the molecule.[PAR]",
"The file [TT]Mtot.xvg[tt] contains the total dipole moment of a frame, the",
"simulation.",
"The file [TT]dipdist.xvg[tt] contains the distribution of dipole moments during",
"the simulation",
- "The mu_max is used as the highest value in the distribution graph.[PAR]",
- "Furthermore the dipole autocorrelation function will be computed when",
+ "The value of [TT]-mumax[tt] is used as the highest value in the distribution graph.[PAR]",
+ "Furthermore, the dipole autocorrelation function will be computed when",
"option [TT]-corr[tt] is used. The output file name is given with the [TT]-c[tt]",
"option.",
"The correlation functions can be averaged over all molecules",
"Option [TT]-g[tt] produces a plot of the distance dependent Kirkwood",
"G-factor, as well as the average cosine of the angle between the dipoles",
"as a function of the distance. The plot also includes gOO and hOO",
- "according to Nymand & Linse, JCP 112 (2000) pp 6386-6395. In the same plot",
+ "according to Nymand & Linse, J. Chem. Phys. 112 (2000) pp 6386-6395. In the same plot, ",
"we also include the energy per scale computed by taking the inner product of",
"the dipoles divided by the distance to the third power.[PAR]",
"[PAR]",
"This will calculate the autocorrelation function of the molecular",
"dipoles using a first order Legendre polynomial of the angle of the",
"dipole vector and itself a time t later. For this calculation 1001",
- "frames will be used. Further the dielectric constant will be calculated",
- "using an epsilonRF of infinity (default), temperature of 300 K (default) and",
+ "frames will be used. Further, the dielectric constant will be calculated",
+ "using an [GRK]epsilon[grk]RF of infinity (default), temperature of 300 K (default) and",
"an average dipole moment of the molecule of 2.273 (SPC). For the",
"distribution function a maximum of 5.0 will be used."
};
{ "-corr", FALSE, etENUM, {corrtype},
"Correlation function to calculate" },
{ "-pairs", FALSE, etBOOL, {&bPairs},
- "Calculate |cos theta| between all pairs of molecules. May be slow" },
+ "Calculate |cos [GRK]theta[grk]| between all pairs of molecules. May be slow" },
{ "-ncos", FALSE, etINT, {&ncos},
"Must be 1 or 2. Determines whether the <cos> is computed between all molecules in one group, or between molecules in two different groups. This turns on the [TT]-gkr[tt] flag." },
{ "-axis", FALSE, etSTR, {&axtitle},
{ "-gkratom2", FALSE, etINT, {&nFB},
"Same as previous option in case ncos = 2, i.e. dipole interaction between two groups of molecules" },
{ "-rcmax", FALSE, etREAL, {&rcmax},
- "Maximum distance to use in the dipole orientation distribution (with ncos == 2). If zero, a criterium based on the box length will be used." },
+ "Maximum distance to use in the dipole orientation distribution (with ncos == 2). If zero, a criterion based on the box length will be used." },
{ "-phi", FALSE, etBOOL, {&bPhi},
"Plot the 'torsion angle' defined as the rotation of the two dipole vectors around the distance vector between the two molecules in the [TT].xpm[tt] file from the [TT]-cmap[tt] option. By default the cosine of the angle between the dipoles is plotted." },
{ "-nlevels", FALSE, etINT, {&nlevels},
"Number of colors in the cmap output" },
{ "-ndegrees", FALSE, etINT, {&ndegrees},
- "Number of divisions on the y-axis in the camp output (for 180 degrees)" }
+ "Number of divisions on the [IT]y[it]-axis in the cmap output (for 180 degrees)" }
};
int *gnx;
int nFF[2];