Qfep version history * Release 4.00, 2000-02-08 Is identical to 3.75 * Release 3.75, 2000-02-08 Average energies printed now reflect the skipping of data points. Previously, the averages were always over all the data in the energy file. Improved the handling of read errors due to wrong number of off- diagonal functions in the energy file. * Release 3.4, 99-04-15 Dynamic allocation of all large arrays avoids exessive memory usage and makes the program run faster (less swapping). * Release 3.32, 99-04-14 Added 'Bin-averaged summary'. * Release 3.31, 99-04-13 Removed hard-coded maximum number of energy files (=100). * Release 3.3, 99-03-31 Changed format of output to be able to use the output as is in gnuplot gnuplot index 0 = average energies (one long line for each state in each file) gnuplot index 1 = FEP summary gnuplot index 2 = reaction free energy Writes prompts to standard error if possible. This means one can run Qfep3 > fep.log and still run the program interactively. * Release 3.2, 98-05-09 Changed format of offdiagonals in energy file to be same as old Qdyn/Qfep. Now reports module versions.