--------------------------------------------------------------------------- Using RAM36 together with the PROSPE addons --------------------------------------------------------------------------- It is best to do use the command: runram36 MOLNAM runram36 is a batch file, which allows the use of specific molecule based names for files, prints out a summary of deviations for iterations and evaluates and prints the total execution time. MOLNAM in the call statement stands for RAM36 input file called MOLNAM.INP that should be present in the current directory. It is then copied automatically to the compulsory INPUT.TXT and the results are written to MOLNAM.OUT --------------------------------------------------------------------------- It is recommended that the MOLNAM.OUT file is then processed with VIFORM, which results in the files: Main otput files: MOLNAM.res MOLNAM.lin Additional output files: MOLNAM_original.res MOLNAM_frequency.res MOLNAM_frequency.lin MOLNAM.con The '_original' files (and those without a suffix after MOLNAM) are for lines in the original order as in the input file. The '_frequency' files are for lines sorted in frequency. --------------------------------------------------------------------------- HINTS on using the .OUT file: Search for "original" to find the final block of output where: 1/ Rho and separate A,B,C values are directly above 2/ The blocks of fitted constants in MHz (complete and truncated) are immediately above those 3/ Further up are the corresponding two blocks of fitted constants in cm-1 4/ Further up is the breakdown of rms deviations into subsets according to transition types Search for the LAST occurrence of "wrms" to find the final line breakdown directly (and the top of the information for final fit) In order to update the initial values of parameters in the MONAM.INP input file copy the column of parameter values headed " Parameters in cm-1:" just below the final line breakdown in the MOLNAM.OUT file. Search for "fitted" to find the number of fitted parameters and their breakdown (near the top of the .OUT file) Total execution time can be obtained from the difference between the starting and finishing times printed at the top and the bottom of the output, respectively. Search for "time of iteration" for single iteration time. --------------------------------------------------------------------------- RAM36 Predictions --------------------------------------------------------------------------- For short runs just change the predictions flag to 1 or -1. For a long iteration time set the number of iterations: to 0 if estimated uncertainties on predictions are not required to 1 if estimated uncertainties are required (but make sure that the values of all parameters updated to those from the latest satisfactory fit) --------------------------------------------------------------------------- ---------------------------------------------------------------------------