******************************************************************
*               Welcome to use the MCPB.py program               *
*                          Version 4.0                           *
*                       Author: Pengfei Li                       *
*                      Merz Research Group                       *
*                   Michigan State University                    *
*                              AND                               *
*                 Hammes-Schiffer Research Group                 *
*                         UIUC and Yale                          *
******************************************************************
The input file you are using is : 6OFV.in
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
The following is the input variable you have:
The variable ion_ids is :  [5436, 5437, 5438]
The variable ion_info is :  []
The variable ion_mol2files is :  ['MG.mol2']
The variable original_pdb is :  6ofv_fixed.pdb
The variable add_bonded_pairs is :  []
The variable add_redcrd is :  0
The variable additional_resids is :  []
The variable anglefc_avg is :  0
The variable bondfc_avg is :  0
The variable chgfix_resids is :  []
The variable cut_off is :  2.5
The variable force_field is :  ff14SB
The variable frcmod_files is :  ['POP.frcmod']
The variable gaff is :  1
The variable group_name is :  6OFV
The variable ion_paraset is :  CM (Only for nonbonded model)
The variable large_opt is :  1
The variable lgmodel_chg is :  -99
The variable lgmodel_spin is :  -99
             -99 means program will assign a charge automatically.
The variable naa_mol2files is :  ['POP.mol2', 'WAT.mol2']
The variable scale_factor is :  1.0
             ATTENTION: This is the scale factor of frequency. The 
             force constants will be scaled by multiplying the square
             of scale_factor.
The variable smmodel_chg is :  -99
The variable smmodel_spin is :  -99
             -99 means program will assign a charge automatically.
The variable software_version is :  g09
The variable sqm_opt is :  0
The variable water_model is :  TIP3P
The variable xstru is :  0
******************************************************************
*                                                                *
*===================Generate the Initial frcmod file=============*
*                                                                *
******************************************************************
Atoms which has changed the atom types: [1353, 1354, 3637, 3692, 3763, 5436, 5437, 5438, 5440, 5441, 5445, 5447, 5448, 5451, 5454, 5457, 5460, 5463, 5466]
84-ASP@1353-OD1 : O2 --> Y1
84-ASP@1354-OD2 : O2 --> Y7
225-ASN@3637-OD1 : O  --> Z2
229-SER@3692-OG : OH --> Z3
233-GLU@3763-OE2 : O2 --> Z4
341-MG@5436-MG : MG --> M1
342-MG@5437-MG : MG --> M2
343-MG@5438-MG : MG --> M3
344-POP@5440-O1 : o  --> Z5
344-POP@5441-O2 : o  --> Y2
344-POP@5445-O4 : o  --> Z6
344-POP@5447-O6 : o  --> Y8
345-WAT@5448-O : OW --> Y3
346-WAT@5451-O : OW --> Y9
347-WAT@5454-O : OW --> Y4
348-WAT@5457-O : OW --> Z7
349-WAT@5460-O : OW --> Y5
350-WAT@5463-O : OW --> Y6
351-WAT@5466-O : OW --> Z1
==================Using the Seminario method to solve the problem.
=======================Generate the bond parameters===============
For bondtype: M1-Y2. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [1.9785]
  The average bond length is: 1.9785 Angstrom.
  The force constant(s) is(are): [75.1]
  The average force constant is: 75.1 Kcal*mol^-1*A^-2.
For bondtype: M1-Y3. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.1938]
  The average bond length is: 2.1938 Angstrom.
  The force constant(s) is(are): [20.8]
  The average force constant is: 20.8 Kcal*mol^-1*A^-2.
For bondtype: M1-Y4. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.102]
  The average bond length is: 2.102 Angstrom.
  The force constant(s) is(are): [46.8]
  The average force constant is: 46.8 Kcal*mol^-1*A^-2.
For bondtype: M1-Y5. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.2245]
  The average bond length is: 2.2245 Angstrom.
  The force constant(s) is(are): [18.8]
  The average force constant is: 18.8 Kcal*mol^-1*A^-2.
For bondtype: M1-Y6. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.2305]
  The average bond length is: 2.2305 Angstrom.
  The force constant(s) is(are): [24.3]
  The average force constant is: 24.3 Kcal*mol^-1*A^-2.
For bondtype: M2-Y2. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.1039]
  The average bond length is: 2.1039 Angstrom.
  The force constant(s) is(are): [44.0]
  The average force constant is: 44.0 Kcal*mol^-1*A^-2.
For bondtype: M2-Y5. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [3.8542]
  The average bond length is: 3.8542 Angstrom.
  The force constant(s) is(are): [-1.8]
  The average force constant is: -1.8 Kcal*mol^-1*A^-2.
  *The average force constant is negative, treat is as 0.0.
For bondtype: M2-Y8. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.0893]
  The average bond length is: 2.0893 Angstrom.
  The force constant(s) is(are): [50.2]
  The average force constant is: 50.2 Kcal*mol^-1*A^-2.
For bondtype: M2-Y9. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.0535]
  The average bond length is: 2.0535 Angstrom.
  The force constant(s) is(are): [55.0]
  The average force constant is: 55.0 Kcal*mol^-1*A^-2.
For bondtype: M2-Z1. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.1648]
  The average bond length is: 2.1648 Angstrom.
  The force constant(s) is(are): [30.4]
  The average force constant is: 30.4 Kcal*mol^-1*A^-2.
For bondtype: M3-Z5. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.0943]
  The average bond length is: 2.0943 Angstrom.
  The force constant(s) is(are): [40.6]
  The average force constant is: 40.6 Kcal*mol^-1*A^-2.
For bondtype: M3-Z6. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.0861]
  The average bond length is: 2.0861 Angstrom.
  The force constant(s) is(are): [40.8]
  The average force constant is: 40.8 Kcal*mol^-1*A^-2.
For bondtype: M3-Z7. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.1246]
  The average bond length is: 2.1246 Angstrom.
  The force constant(s) is(are): [38.1]
  The average force constant is: 38.1 Kcal*mol^-1*A^-2.
For bondtype: Y1-M1. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.0281]
  The average bond length is: 2.0281 Angstrom.
  The force constant(s) is(are): [49.2]
  The average force constant is: 49.2 Kcal*mol^-1*A^-2.
For bondtype: Y7-M2. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.0885]
  The average bond length is: 2.0885 Angstrom.
  The force constant(s) is(are): [23.6]
  The average force constant is: 23.6 Kcal*mol^-1*A^-2.
For bondtype: Z2-M3. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.1222]
  The average bond length is: 2.1222 Angstrom.
  The force constant(s) is(are): [17.4]
  The average force constant is: 17.4 Kcal*mol^-1*A^-2.
For bondtype: Z3-M3. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.1501]
  The average bond length is: 2.1501 Angstrom.
  The force constant(s) is(are): [22.8]
  The average force constant is: 22.8 Kcal*mol^-1*A^-2.
For bondtype: Z4-M3. There are 1 bond(s) in this type: 
  The bond length(s) is(are): [2.1107]
  The average bond length is: 2.1107 Angstrom.
  The force constant(s) is(are): [18.1]
  The average force constant is: 18.1 Kcal*mol^-1*A^-2.
=======================Generate the angle parameters==============
For angletype: 2C-Z3-M3. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [122.45]
  The average angle value is: 122.45 Degree.
  The force constant(s) is(are): [50.52]
  The average force constant is: 50.52 Kcal*mol^-1*Rad^-2.
For angletype: C -Z2-M3. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [153.72]
  The average angle value is: 153.72 Degree.
  The force constant(s) is(are): [42.77]
  The average force constant is: 42.77 Kcal*mol^-1*Rad^-2.
For angletype: CO-Y1-M1. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [128.47]
  The average angle value is: 128.47 Degree.
  The force constant(s) is(are): [69.24]
  The average force constant is: 69.24 Kcal*mol^-1*Rad^-2.
For angletype: CO-Y7-M2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [141.4]
  The average angle value is: 141.4 Degree.
  The force constant(s) is(are): [44.36]
  The average force constant is: 44.36 Kcal*mol^-1*Rad^-2.
For angletype: CO-Z4-M3. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [131.74]
  The average angle value is: 131.74 Degree.
  The force constant(s) is(are): [55.21]
  The average force constant is: 55.21 Kcal*mol^-1*Rad^-2.
For angletype: M1-Y2-M2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [117.84]
  The average angle value is: 117.84 Degree.
  The force constant(s) is(are): [35.02]
  The average force constant is: 35.02 Kcal*mol^-1*Rad^-2.
For angletype: M1-Y2-p5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [117.67]
  The average angle value is: 117.67 Degree.
  The force constant(s) is(are): [69.03]
  The average force constant is: 69.03 Kcal*mol^-1*Rad^-2.
For angletype: M1-Y3-HW. There are 2 angle(s) in this type: 
  The angle value(s) is(are): [96.6, 90.82]
  The average angle value is: 93.71 Degree.
  The force constant(s) is(are): [16.74, 22.69]
  The average force constant is: 19.71 Kcal*mol^-1*Rad^-2.
For angletype: M1-Y4-HW. There are 2 angle(s) in this type: 
  The angle value(s) is(are): [97.85, 109.88]
  The average angle value is: 103.86 Degree.
  The force constant(s) is(are): [43.76, 28.5]
  The average force constant is: 36.13 Kcal*mol^-1*Rad^-2.
For angletype: M1-Y5-HW. There are 2 angle(s) in this type: 
  The angle value(s) is(are): [91.56, 112.19]
  The average angle value is: 101.88 Degree.
  The force constant(s) is(are): [37.46, 22.48]
  The average force constant is: 29.97 Kcal*mol^-1*Rad^-2.
For angletype: M1-Y5-M2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [63.79]
  The average angle value is: 63.79 Degree.
  The force constant(s) is(are): [35.68]
  The average force constant is: 35.68 Kcal*mol^-1*Rad^-2.
For angletype: M1-Y6-HW. There are 2 angle(s) in this type: 
  The angle value(s) is(are): [105.0, 121.2]
  The average angle value is: 113.1 Degree.
  The force constant(s) is(are): [47.81, 32.99]
  The average force constant is: 40.4 Kcal*mol^-1*Rad^-2.
For angletype: M2-Y2-p5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [122.67]
  The average angle value is: 122.67 Degree.
  The force constant(s) is(are): [51.07]
  The average force constant is: 51.07 Kcal*mol^-1*Rad^-2.
For angletype: M2-Y5-HW. There are 2 angle(s) in this type: 
  The angle value(s) is(are): [110.23, 143.12]
  The average angle value is: 126.68 Degree.
  The force constant(s) is(are): [44.98, 43.43]
  The average force constant is: 44.2 Kcal*mol^-1*Rad^-2.
For angletype: M2-Y8-p5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [93.75]
  The average angle value is: 93.75 Degree.
  The force constant(s) is(are): [79.06]
  The average force constant is: 79.06 Kcal*mol^-1*Rad^-2.
For angletype: M2-Y9-HW. There are 2 angle(s) in this type: 
  The angle value(s) is(are): [111.52, 108.72]
  The average angle value is: 110.12 Degree.
  The force constant(s) is(are): [37.68, 41.61]
  The average force constant is: 39.64 Kcal*mol^-1*Rad^-2.
For angletype: M2-Z1-HW. There are 2 angle(s) in this type: 
  The angle value(s) is(are): [85.16, 100.98]
  The average angle value is: 93.07 Degree.
  The force constant(s) is(are): [27.82, 12.73]
  The average force constant is: 20.27 Kcal*mol^-1*Rad^-2.
For angletype: M3-Z3-HO. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [96.47]
  The average angle value is: 96.47 Degree.
  The force constant(s) is(are): [38.42]
  The average force constant is: 38.42 Kcal*mol^-1*Rad^-2.
For angletype: M3-Z5-p5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [118.62]
  The average angle value is: 118.62 Degree.
  The force constant(s) is(are): [63.25]
  The average force constant is: 63.25 Kcal*mol^-1*Rad^-2.
For angletype: M3-Z6-p5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [123.84]
  The average angle value is: 123.84 Degree.
  The force constant(s) is(are): [73.66]
  The average force constant is: 73.66 Kcal*mol^-1*Rad^-2.
For angletype: M3-Z7-HW. There are 2 angle(s) in this type: 
  The angle value(s) is(are): [102.74, 102.47]
  The average angle value is: 102.6 Degree.
  The force constant(s) is(are): [39.07, 29.27]
  The average force constant is: 34.17 Kcal*mol^-1*Rad^-2.
For angletype: Y1-M1-Y2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [100.38]
  The average angle value is: 100.38 Degree.
  The force constant(s) is(are): [60.27]
  The average force constant is: 60.27 Kcal*mol^-1*Rad^-2.
For angletype: Y1-M1-Y3. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [78.82]
  The average angle value is: 78.82 Degree.
  The force constant(s) is(are): [59.46]
  The average force constant is: 59.46 Kcal*mol^-1*Rad^-2.
For angletype: Y1-M1-Y4. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [98.69]
  The average angle value is: 98.69 Degree.
  The force constant(s) is(are): [55.9]
  The average force constant is: 55.9 Kcal*mol^-1*Rad^-2.
For angletype: Y1-M1-Y5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [91.67]
  The average angle value is: 91.67 Degree.
  The force constant(s) is(are): [36.22]
  The average force constant is: 36.22 Kcal*mol^-1*Rad^-2.
For angletype: Y1-M1-Y6. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [162.98]
  The average angle value is: 162.98 Degree.
  The force constant(s) is(are): [32.2]
  The average force constant is: 32.2 Kcal*mol^-1*Rad^-2.
For angletype: Y3-M1-Y2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [173.58]
  The average angle value is: 173.58 Degree.
  The force constant(s) is(are): [44.47]
  The average force constant is: 44.47 Kcal*mol^-1*Rad^-2.
For angletype: Y4-M1-Y2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [93.92]
  The average angle value is: 93.92 Degree.
  The force constant(s) is(are): [66.81]
  The average force constant is: 66.81 Kcal*mol^-1*Rad^-2.
For angletype: Y4-M1-Y3. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [79.95]
  The average angle value is: 79.95 Degree.
  The force constant(s) is(are): [59.9]
  The average force constant is: 59.9 Kcal*mol^-1*Rad^-2.
For angletype: Y5-M1-Y2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [102.84]
  The average angle value is: 102.84 Degree.
  The force constant(s) is(are): [49.67]
  The average force constant is: 49.67 Kcal*mol^-1*Rad^-2.
For angletype: Y5-M1-Y3. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [83.57]
  The average angle value is: 83.57 Degree.
  The force constant(s) is(are): [45.58]
  The average force constant is: 45.58 Kcal*mol^-1*Rad^-2.
For angletype: Y5-M1-Y4. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [158.4]
  The average angle value is: 158.4 Degree.
  The force constant(s) is(are): [40.52]
  The average force constant is: 40.52 Kcal*mol^-1*Rad^-2.
For angletype: Y5-M2-Y2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [58.55]
  The average angle value is: 58.55 Degree.
  The force constant(s) is(are): [59.28]
  The average force constant is: 59.28 Kcal*mol^-1*Rad^-2.
For angletype: Y5-M2-Y8. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [149.73]
  The average angle value is: 149.73 Degree.
  The force constant(s) is(are): [48.09]
  The average force constant is: 48.09 Kcal*mol^-1*Rad^-2.
For angletype: Y5-M2-Y9. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [46.91]
  The average angle value is: 46.91 Degree.
  The force constant(s) is(are): [40.26]
  The average force constant is: 40.26 Kcal*mol^-1*Rad^-2.
For angletype: Y6-M1-Y2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [87.29]
  The average angle value is: 87.29 Degree.
  The force constant(s) is(are): [63.96]
  The average force constant is: 63.96 Kcal*mol^-1*Rad^-2.
For angletype: Y6-M1-Y3. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [95.2]
  The average angle value is: 95.2 Degree.
  The force constant(s) is(are): [63.5]
  The average force constant is: 63.5 Kcal*mol^-1*Rad^-2.
For angletype: Y6-M1-Y4. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [95.88]
  The average angle value is: 95.88 Degree.
  The force constant(s) is(are): [53.19]
  The average force constant is: 53.19 Kcal*mol^-1*Rad^-2.
For angletype: Y6-M1-Y5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [71.72]
  The average angle value is: 71.72 Degree.
  The force constant(s) is(are): [33.72]
  The average force constant is: 33.72 Kcal*mol^-1*Rad^-2.
For angletype: Y7-M2-Y2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [90.29]
  The average angle value is: 90.29 Degree.
  The force constant(s) is(are): [78.12]
  The average force constant is: 78.12 Kcal*mol^-1*Rad^-2.
For angletype: Y7-M2-Y5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [71.95]
  The average angle value is: 71.95 Degree.
  The force constant(s) is(are): [32.52]
  The average force constant is: 32.52 Kcal*mol^-1*Rad^-2.
For angletype: Y7-M2-Y8. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [106.7]
  The average angle value is: 106.7 Degree.
  The force constant(s) is(are): [43.75]
  The average force constant is: 43.75 Kcal*mol^-1*Rad^-2.
For angletype: Y7-M2-Y9. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [92.64]
  The average angle value is: 92.64 Degree.
  The force constant(s) is(are): [34.82]
  The average force constant is: 34.82 Kcal*mol^-1*Rad^-2.
For angletype: Y7-M2-Z1. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [83.42]
  The average angle value is: 83.42 Degree.
  The force constant(s) is(are): [59.58]
  The average force constant is: 59.58 Kcal*mol^-1*Rad^-2.
For angletype: Y8-M2-Y2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [91.53]
  The average angle value is: 91.53 Degree.
  The force constant(s) is(are): [72.4]
  The average force constant is: 72.4 Kcal*mol^-1*Rad^-2.
For angletype: Y9-M2-Y2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [99.33]
  The average angle value is: 99.33 Degree.
  The force constant(s) is(are): [40.98]
  The average force constant is: 40.98 Kcal*mol^-1*Rad^-2.
For angletype: Y9-M2-Y8. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [157.81]
  The average angle value is: 157.81 Degree.
  The force constant(s) is(are): [65.4]
  The average force constant is: 65.4 Kcal*mol^-1*Rad^-2.
For angletype: Z1-M2-Y2. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [163.75]
  The average angle value is: 163.75 Degree.
  The force constant(s) is(are): [41.67]
  The average force constant is: 41.67 Kcal*mol^-1*Rad^-2.
For angletype: Z1-M2-Y5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [132.14]
  The average angle value is: 132.14 Degree.
  The force constant(s) is(are): [56.75]
  The average force constant is: 56.75 Kcal*mol^-1*Rad^-2.
For angletype: Z1-M2-Y8. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [76.09]
  The average angle value is: 76.09 Degree.
  The force constant(s) is(are): [74.05]
  The average force constant is: 74.05 Kcal*mol^-1*Rad^-2.
For angletype: Z1-M2-Y9. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [95.92]
  The average angle value is: 95.92 Degree.
  The force constant(s) is(are): [36.59]
  The average force constant is: 36.59 Kcal*mol^-1*Rad^-2.
For angletype: Z2-M3-Z3. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [77.2]
  The average angle value is: 77.2 Degree.
  The force constant(s) is(are): [46.3]
  The average force constant is: 46.3 Kcal*mol^-1*Rad^-2.
For angletype: Z2-M3-Z4. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [164.64]
  The average angle value is: 164.64 Degree.
  The force constant(s) is(are): [44.55]
  The average force constant is: 44.55 Kcal*mol^-1*Rad^-2.
For angletype: Z2-M3-Z5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [95.21]
  The average angle value is: 95.21 Degree.
  The force constant(s) is(are): [39.5]
  The average force constant is: 39.5 Kcal*mol^-1*Rad^-2.
For angletype: Z2-M3-Z6. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [96.33]
  The average angle value is: 96.33 Degree.
  The force constant(s) is(are): [30.75]
  The average force constant is: 30.75 Kcal*mol^-1*Rad^-2.
For angletype: Z2-M3-Z7. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [85.32]
  The average angle value is: 85.32 Degree.
  The force constant(s) is(are): [30.96]
  The average force constant is: 30.96 Kcal*mol^-1*Rad^-2.
For angletype: Z3-M3-Z4. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [89.38]
  The average angle value is: 89.38 Degree.
  The force constant(s) is(are): [47.47]
  The average force constant is: 47.47 Kcal*mol^-1*Rad^-2.
For angletype: Z3-M3-Z5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [172.4]
  The average angle value is: 172.4 Degree.
  The force constant(s) is(are): [45.77]
  The average force constant is: 45.77 Kcal*mol^-1*Rad^-2.
For angletype: Z3-M3-Z6. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [91.7]
  The average angle value is: 91.7 Degree.
  The force constant(s) is(are): [43.31]
  The average force constant is: 43.31 Kcal*mol^-1*Rad^-2.
For angletype: Z3-M3-Z7. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [93.34]
  The average angle value is: 93.34 Degree.
  The force constant(s) is(are): [43.93]
  The average force constant is: 43.93 Kcal*mol^-1*Rad^-2.
For angletype: Z4-M3-Z5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [98.08]
  The average angle value is: 98.08 Degree.
  The force constant(s) is(are): [42.72]
  The average force constant is: 42.72 Kcal*mol^-1*Rad^-2.
For angletype: Z4-M3-Z6. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [91.44]
  The average angle value is: 91.44 Degree.
  The force constant(s) is(are): [70.3]
  The average force constant is: 70.3 Kcal*mol^-1*Rad^-2.
For angletype: Z4-M3-Z7. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [88.08]
  The average angle value is: 88.08 Degree.
  The force constant(s) is(are): [70.86]
  The average force constant is: 70.86 Kcal*mol^-1*Rad^-2.
For angletype: Z6-M3-Z5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [89.56]
  The average angle value is: 89.56 Degree.
  The force constant(s) is(are): [59.34]
  The average force constant is: 59.34 Kcal*mol^-1*Rad^-2.
For angletype: Z7-M3-Z5. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [85.52]
  The average angle value is: 85.52 Degree.
  The force constant(s) is(are): [64.85]
  The average force constant is: 64.85 Kcal*mol^-1*Rad^-2.
For angletype: Z7-M3-Z6. There are 1 angle(s) in this type: 
  The angle value(s) is(are): [174.93]
  The average angle value is: 174.93 Degree.
  The force constant(s) is(are): [45.25]
  The average force constant is: 45.25 Kcal*mol^-1*Rad^-2.
==================================================================
To cite MCPB.py please use the following reference:
Pengfei Li and Kenneth M. Merz, Jr., "MCPB.py: A Python Based
  Metal Center Parameter Builder." J. Chem. Inf. Model., 2016,
  56, 599-604.
