--------------------------------------------------------------------------- RAM36 or RAM36HF operation with AABS --------------------------------------------------------------------------- Summary: --> RUNRAM36 molnam % fit using MOLNAM.INP, place output in MOLNAM.OUT | VIFORM % generate MOLNAM.LIN for ASCP_L fitting file | VADCAT % generate predictions for ASCP_L batch input --- LINVAD % convert updated MOLNAM.LIN to a frequency % block for pasting into MOLNAM.INP Some details: ------------- THE FITTING FILE: Measurements are to be added to a file in the .LIN standard with J,Ka,Kc,v quantum numbers for RAM36 J,Ka,Kc,v,F quantum numbers for RAM36HF The file should be handled with the following conversions: 1/ RAM36 and RAM36HF output -> MOLNAM.LIN file: Use VIFORM on MOLNAM.OUT, which will produce the file MOLNAM.LIN, to be declared as the fitting data file for AABS in SVIEW_L.INP 2/ updated MOLNAM.LIN file -> RAM36 and RAM36HF input: Use LINVAD if the MOLNAM.LIN file has been updated with AABS measurements. LINVAD uses a simple control file LINVAD.INP and it is necessary to fill out the input and output file names as necessary. Then paste the line block from the LINVAD output file into the MOLNAM.INP file for RAM36. PREDICTIONS: 1/ run RAM36 predictions to generate predictvt0.txt and/or or predictvt1.txt 2/ copy predictvt0.txt or predictvt1.txt or concatenate both to VADCAT.INP 3/ Run VADCAT which will produce separate .CAT type files for each m state. Those can then be be read into ASCP_L with an input batch file. The VADCAT.CAT file of collected predictions is also generated. RESULTS OF FIT: The MOLNAM.RES file produced by VIFORM can also be used as input for the AC program. NOTE: Earlier version of this procedure used the program VADASR rather than VADCAT, but that was limited only to RAM36 --------------------------------------------------------------------------- ---------------------------------------------------------------------------