"Option [TT]-gem[tt] fits bimolecular rate constants ka and kb",
"(and optionally kD) to the hydrogen bond autocorrelation function",
"according to the reversible geminate recombination model. Removal of",
- "the ballistic component first is strongly adviced. The model is presented in",
+ "the ballistic component first is strongly advised. The model is presented in",
"O. Markovitch, J. Chem. Phys. 129:084505, 2008.[PAR]",
"Option [TT]-filter[tt] prints the RMS high-frequency fluctuation",
"With options [TT]-lt[tt] and [TT]-dist[tt] the number of contacts",
"of all atoms in group 2 that are closer than a certain distance",
"to the center of mass of group 1 are plotted as a function of the time",
- "that the contact was continously present.[PAR]",
+ "that the contact was continuously present.[PAR]",
"Other programs that calculate distances are [TT]g_mindist[tt]",
"and [TT]g_bond[tt]."
};
int gmx_hydorder(int argc,char *argv[])
{
static const char *desc[] = {
- "The tetrahedrality order parameters can be determined",
- "around an atom. Both angle an distance order parameters are calculated. See",
+ "g_hydorder computes the tetrahedrality order parameters around a ",
+ "given atom. Both angle an distance order parameters are calculated. See",
"P.-L. Chau and A.J. Hardwick, Mol. Phys., 93, (1998), 511-518.",
"for more details.[BR]"
"This application calculates the orderparameter in a 3d-mesh in the box, and",
"(between any pair of atoms from the respective groups)",
"and the number of contacts within a given",
"distance are written to two separate output files.",
- "With the [TT]-group[tt] option a contact of an atom an other group",
+ "With the [TT]-group[tt] option a contact of an atom in another group",
"with multiple atoms in the first group is counted as one contact",
"instead of as multiple contacts.",
"With [TT]-or[tt], minimum distances to each residue in the first",
{ "-simsteps", FALSE, etGMX_LARGE_INT, {&new_sim_nsteps},
"If non-negative, perform this many steps in the real run (overwrites nsteps from [TT].tpr[tt], add [TT].cpt[tt] steps)" },
{ "-launch", FALSE, etBOOL, {&bLaunch},
- "Lauch the real simulation after optimization" },
+ "Launch the real simulation after optimization" },
/******************/
/* mdrun options: */
/******************/
"to the file defined with [TT]-oiact[tt]. In verbose mode, all ",
"autocorrelation functions (ACFs) are written to [TT]hist_autocorr.xvg[tt]. ",
"Because the IACTs can be severely underestimated in case of limited ",
- "sampling, option [TT]-acsig[tt] allows to smooth the IACTs along the ",
+ "sampling, option [TT]-acsig[tt] allows one to smooth the IACTs along the ",
"reaction coordinate with a Gaussian ([GRK]sigma[grk] provided with [TT]-acsig[tt], ",
"see output in [TT]iact.xvg[tt]). Note that the IACTs are estimated by simple ",
"integration of the ACFs while the ACFs are larger 0.05.",