"Every individual BAR free energy difference relies on two ",
"simulations at different states: say state A and state B, as",
- "controlled by a parameter, [GRK]lambda[grk] (see the [TT].mdp[tt] parameter",
+ "controlled by a parameter, [GRK]lambda[grk] (see the [REF].mdp[ref] parameter",
"[TT]init_lambda[tt]). The BAR method calculates a ratio of weighted",
"average of the Hamiltonian difference of state B given state A and",
"vice versa.",
"The energy differences to the other state must be calculated",
"explicitly during the simulation. This can be done with",
- "the [TT].mdp[tt] option [TT]foreign_lambda[tt].[PAR]",
+ "the [REF].mdp[ref] option [TT]foreign_lambda[tt].[PAR]",
"Input option [TT]-f[tt] expects multiple [TT]dhdl.xvg[tt] files. ",
"Two types of input files are supported:[BR]",
"capitalized letters 'D' and 'H'. The temperature is parsed from ",
"the legend line containing 'T ='.[PAR]",
- "The input option [TT]-g[tt] expects multiple [TT].edr[tt] files. ",
+ "The input option [TT]-g[tt] expects multiple [REF].edr[ref] files. ",
"These can contain either lists of energy differences (see the ",
- "[TT].mdp[tt] option [TT]separate_dhdl_file[tt]), or a series of ",
- "histograms (see the [TT].mdp[tt] options [TT]dh_hist_size[tt] and ",
+ "[REF].mdp[ref] option [TT]separate_dhdl_file[tt]), or a series of ",
+ "histograms (see the [REF].mdp[ref] options [TT]dh_hist_size[tt] and ",
"[TT]dh_hist_spacing[tt]).", "The temperature and [GRK]lambda[grk] ",
"values are automatically deduced from the [TT]ener.edr[tt] file.[PAR]",
- "In addition to the [TT].mdp[tt] option [TT]foreign_lambda[tt], ",
+ "In addition to the [REF].mdp[ref] option [TT]foreign_lambda[tt], ",
"the energy difference can also be extrapolated from the ",
"dH/d[GRK]lambda[grk] values. This is done with the[TT]-extp[tt]",
"option, which assumes that the system's Hamiltonian depends linearly",