******************************************************************
*               Welcome to use the MCPB.py program               *
*                          Version 2.0                           *
*                       Author: Pengfei Li                       *
*                      Merz Research Group                       *
*                   Michigan State University                    *
******************************************************************
The input file you are using is : mcpb.in
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
The following is the input variable you have:
The variable ion_ids is :  [7756, 7757]
The variable ion_info is :  []
The variable ion_mol2files is :  ['FE3.mol2']
The variable original_pdb is :  dhad_dhiv.pdb
The variable add_bonded_pairs is :  [(7756, 2323), (7756, 7766), (7756, 7758), (7756, 7759), (7757, 1289), (7757, 243), (7757, 7758), (7757, 7759)]
The variable additional_resids is :  []
The variable anglefc_avg is :  0
The variable bondfc_avg is :  0
The variable cut_off is :  2.8
The variable chgfix_resids is :  []
The variable force_field is :  ff14SB
The variable frcmodfs is :  ['DHV.frcmod']
The variable gaff is :  2
The variable group_name is :  2Fe-2S_param
The variable ion_paraset is :  CM (Only for nonbonded model)
The variable large_opt is :  0
The variable lgmodel_chg is :  -99
             -99 means program will assign a charge automatically.
The variable naa_mol2files is :  ['DHV.mol2', 'S.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 :  -3
             -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
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*                                                                *
*===================Generate the Initial frcmod file=============*
*                                                                *
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Traceback (most recent call last):
  File "/apps/intel/2018.1.163/amber/16/bin/MCPB.py", line 575, in <module>
    ff_choice, gaff, frcmodfs, watermodel)
  File "/apps/intel/2018.1.163/amber/16/lib/python2.7/site-packages/mcpb/gene_pre_frcmod_file.py", line 54, in gene_pre_frcmod_file
    Params = get_parm_dict(ffchoice, gaff, frcmodfs)
  File "/apps/intel/2018.1.163/amber/16/lib/python2.7/site-packages/lib/lib.py", line 523, in get_parm_dict
    parmdict2 =  read_dat_file(parmf2)
  File "/apps/intel/2018.1.163/amber/16/lib/python2.7/site-packages/lib/lib.py", line 382, in read_dat_file
    raise pymsmtError('Error of reading the .dat file! Please check it whether ' 
pymsmtexp.pymsmtError: Error of reading the .dat file! Please check it whether it has different parameter types mixed in one section!