gmx_ir.bsh:This script is producing NAN results when calculating the infrared spectra of TIP4P water.

[Iam-ZZG]

Dear Dr.Li, I tried the three-point water models spc, spce and the results were fine, but when calculating the infrared spectra of TIP4P water, all the data came out as NAN using gmx_ir.bsh.The version of GROMACS used is 2019.5. Below are some of the data computed. @ title "Vibrational Power Spectrum" @ xaxis label "\f{12}w\f{4} (cm\S-1\N)" @ yaxis label "a.u." @TYPE xy 0 -nan 6.67128 -nan 13.3426 -nan 20.0138 -nan 26.6851 nan 33.3564 -nan 40.0277 -nan 46.699 -nan 53.3703 -nan 60.0415 -nan 66.7128 -nan 73.3841 -nan 80.0554 -nan 86.7267 -nan 93.3979 nan 100.069 -nan 106.741 -nan 113.412 -nan 120.083 -nan 126.754 -nan 133.426 -nan 140.097 -nan 146.768 -nan 153.439 -nan 160.111 nan 166.782 -nan