"calculated ([TT]-etot[tt]).[PAR]",
"An approximation of the free energy can be calculated using:",
- "E(free) = E0 + kT log( <exp((E-E0)/kT)> ), where '<>'",
+ "[MATH]E[SUB]free[sub] = E[SUB]0[sub] + kT [LOG][CHEVRON][EXP](E-E[SUB]0[sub])/kT[exp][chevron][log][math], where '[MATH][CHEVRON][chevron][math]'",
"stands for time-average. A file with reference free energies",
"can be supplied to calculate the free energy difference",
"with some reference state. Group names (e.g. residue names)",