"[TT]-nbmin[tt] and [TT]-nbmax[tt].",
"Note that in most cases the energy files contains averages over all",
"MD steps, or over many more points than the number of frames in",
- "energy file. This makes the g_energy statistics output more accurate",
- "than the xvg output. When exact averages are not present in the energy",
- "file the statistics mentioned above is simply over the single, per-frame",
+ "energy file. This makes the [TT]g_energy[tt] statistics output more accurate",
+ "than the [TT].xvg[tt] output. When exact averages are not present in the energy",
+ "file the statistics mentioned above are simply over the single, per-frame",
"energy values.[PAR]",
- "The term fluctuation gives the RMSD around the LSQ fit.[PAR]",
+ "The term fluctuation gives the RMSD around the least-squares fit.[PAR]",
- "Some fluctuation-dependent properties can be calculated provided",
- "the correct energy terms are selected. The following properties",
- "will be computed:[BR]",
- "Property Energy terms needed[BR]",
- "---------------------------------------------------[BR]",
- "Heat capacity Cp (NPT sims): Enthalpy, Temp [BR]",
- "Heat capacity Cv (NVT sims): Etot, Temp [BR]",
- "Thermal expansion coeff. (NPT): Enthalpy, Vol, Temp[BR]",
- "Isothermal compressibility: Vol, Temp [BR]",
- "Adiabatic bulk modulus: Vol, Temp [BR]",
- "---------------------------------------------------[BR]",
- "You always need to set the number of molecules [TT]-nmol[tt], and,",
- "if you used constraints in your simulations you will need to give",
- "the number of constraints per molecule [TT]-nconstr[tt] in order to",
- "correct for this: (nconstr/2) kB is subtracted from the heat",
- "capacity in this case. For instance in the case of rigid water",
- "you need to give the value 3 to this option.[PAR]",
-
"When the [TT]-viol[tt] option is set, the time averaged",
"violations are plotted and the running time-averaged and",
"instantaneous sum of violations are recalculated. Additionally",