MacroModel Reference Manual - ISP

Chapter 4: Operation Codesarg1Listing of vibrational frequencies0 No listing.1 Listing to .mmo file.arg5Lower limit for frequency reportingThe lowest vibrational frequency considered to be a real vibrational mode (default2.0 cm –1 ). Note that the 6 lowest frequencies are always skipped.VIBR — visualize VIBRational modesThis command allows for the visualization of molecular vibrations. A file is created which canbe read by the ePlayer facility in Maestro. See Section 8.6 of the Maestro User Manual forinstructions on using the ePlayer. For each mode in the file, the minimized structure comesfirst; then there are some number of frames (call it N) exploring the mode in one direction, 2Nframes exploring it back in the other direction, and finally N additional frames exploring it“forward” again. Each mode is depicted in a different color (up to five). The trivial modes(determined by frequency, not counting) are skipped.This command is allowed only if a MINI has been performed, unless DEBG 211 has been set.arg1First mode to animate0 1 (default). Animate starting with the first mode.narg2For n>0, use this value as the first mode to animate instead of the default. Animatestarting with the nth mode.Last mode to animate0 Only the mode specified by arg1 will be animated.narg3For n>0, use this value as the last mode to animate. Animate the range of modesspecified by arg1 and arg2.Number of frames for 1/4 periodThis number corresponds to N in the above command description.0 10 (default).NFor N>0, use this value instead of default.MacroModel 9.7 Reference Manual 57