{
const char *desc[] = {
"[TT]g_sas[tt] computes hydrophobic, hydrophilic and total solvent accessible surface area.",
- "As a side effect the Connolly surface can be generated as well in",
+ "As a side effect, the Connolly surface can be generated as well in",
"a [TT].pdb[tt] file where the nodes are represented as atoms and the vertices",
"connecting the nearest nodes as CONECT records.",
"The program will ask for a group for the surface calculation",
"The output group can be the whole or part of the calculation group.",
"The average and standard deviation of the area over the trajectory can be plotted",
"per residue and atom as well (options [TT]-or[tt] and [TT]-oa[tt]).",
- "In combination with the latter option an [TT]itp[tt] file can be",
+ "In combination with the latter option an [TT].itp[tt] file can be",
"generated (option [TT]-i[tt])",
"which can be used to restrain surface atoms.[PAR]",
"By default, periodic boundary conditions are taken into account,",
"Please consider whether the normal probe radius is appropriate",
"in this case or whether you would rather use e.g. 0. It is good",
"to keep in mind that the results for volume and density are very",
- "approximate, in e.g. ice Ih one can easily fit water molecules in the",
+ "approximate. For example, in ice Ih, one can easily fit water molecules in the",
"pores which would yield a volume that is too low, and surface area and density",
"that are both too high."
};
{ "-pbc", FALSE, etBOOL, {&bPBC},
"Take periodicity into account" },
{ "-prot", FALSE, etBOOL, {&bSave},
- "Output the protein to the connelly [TT].pdb[tt] file too" },
+ "Output the protein to the Connelly [TT].pdb[tt] file too" },
{ "-dgs", FALSE, etREAL, {&dgs_default},
- "default value for solvation free energy per area (kJ/mol/nm^2)" }
+ "Default value for solvation free energy per area (kJ/mol/nm^2)" }
};
t_filenm fnm[] = {
{ efTRX, "-f", NULL, ffREAD },