MacroModel Reference Manual - ISP

Chapter 4: Operation Codesnarg3For 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).>0 Use this value instead of the default.arg4Print level0 Default: Only eigenvalues are printed in the .log file.Eigenvalues and eigenvectors are printed in the .log file. Note that printing ofeigenvectors generates copious output. This is only recommended as a debuggingtool.arg5Amplitude (Å)Distance the fastest-moving atom will move in the first N frames. Note that this hasthe same definition as the step size in LMCS.0 5.0 (default).>0 Use this value instead of the default.arg6Minimum magnitude of eigenvalues of real vibrational modes0 Default: 0.001.>0 Other value to be used.RRHO — RRHO normal mode analysisRRHO stands for rigid-rotor, harmonic oscillator calculation of translational, rotational, andvibrational enthalpy, heat capacity, entropy, partition function, etc. These properties are writtento the log file and to the output structure file as structure-level properties.The vibrational calculation ignores vibrational frequencies below arg7 cm -1 (default 2.0). Therotational and translational calculations ignore the effects of fixing or freezing atoms. Thevibrational contributions are affected by fixing or freezing. If no atoms are fixed or frozen, fora true minimum energy structure, there should be 6 such ignored frequencies in the range of −1.0 to 1.0 cm -1 corresponding to free translation and rotation. Any frequency substantiallyMacroModel 9.7 Reference Manual 59