"calculate dihedral autocorrelation functions. The function used",
"is C(t) = < cos(chi(tau)) cos(chi(tau+t)) >. The use of cosines",
"rather than angles themselves, resolves the problem of periodicity.",
- "(Van der Spoel & Berendsen (1997), [BB]Biophys. J. 72[bb], 2032-2041).",
+ "(Van der Spoel & Berendsen (1997), Biophys. J. 72, 2032-2041).",
"Separate files for each dihedral of each residue",
"(corr(dihedral)(RESIDUE)(nresnr).xvg) are output, as well as a",
"file containing the information for all residues (argument of [TT]-corr[tt]).[PAR]",
"rotamers per nanosecond, and the order parameter S2 of each dihedral.[BR]",
"(d) a table for each residue of the rotamer occupancy.[BR]",
"All rotamers are taken as 3-fold, except for omegas and chi-dihedrals",
- "to planar groups (i.e. chi2 of aromatics asp and asn, chi3 of glu",
- "and gln, and chi4 of arg), which are 2-fold. \"rotamer 0\" means ",
+ "to planar groups (i.e. chi2 of aromatics Asp and Asn, chi3 of Glu",
+ "and Gln, and chi4 of Arg), which are 2-fold. \"rotamer 0\" means ",
"that the dihedral was not in the core region of each rotamer. ",
"The width of the core region can be set with [TT]-core_rotamer[tt][PAR]",