{ "-temp", FALSE, etREAL, {&temp},
"Temperature (K) for computing the Gibbs energy corresponding to HB breaking and reforming" },
{ "-smooth",FALSE, etREAL, {&smooth_tail_start},
- "If >= 0, the tail of the ACF will be smoothed by fitting it to an exponential function: y = A exp(-x/tau)" },
+ "If >= 0, the tail of the ACF will be smoothed by fitting it to an exponential function: y = A exp(-x/[GRK]tau[grk])" },
{ "-dump", FALSE, etINT, {&nDump},
"Dump the first N hydrogen bond ACFs in a single [TT].xvg[tt] file for debugging" },
{ "-max_hb",FALSE, etREAL, {&maxnhb},
{ "-geminate", FALSE, etENUM, {gemType},
"Use reversible geminate recombination for the kinetics/thermodynamics calclations. See Markovitch et al., J. Chem. Phys 129, 084505 (2008) for details."},
{ "-diff", FALSE, etREAL, {&D},
- "Dffusion coefficient to use in the rev. gem. recomb. kinetic model. If non-positive, then it will be fitted to the ACF along with ka and kd."},
+ "Dffusion coefficient to use in the reversible geminate recombination kinetic model. If negative, then it will be fitted to the ACF along with ka and kd."},
#ifdef HAVE_OPENMP
{ "-nthreads", FALSE, etINT, {&nThreads},
"Number of threads used for the parallel loop over autocorrelations. nThreads <= 0 means maximum number of threads. Requires linking with OpenMP. The number of threads is limited by the number of processors (before OpenMP v.3 ) or environment variable OMP_THREAD_LIMIT (OpenMP v.3)"},