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*               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                          *
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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
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*                                                                *
*=================Generating input file for leap=================*
*                                                                *
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Generating the leap input file...
Renamed residues includes: 84-ASP
Renamed residues includes: 225-ASN
Renamed residues includes: 229-SER
Renamed residues includes: 233-GLU
Renamed residues includes: 341-MG
Renamed residues includes: 342-MG
Renamed residues includes: 343-MG
Renamed residues includes: 344-POP
Renamed residues includes: 345-WAT
Renamed residues includes: 346-WAT
Renamed residues includes: 347-WAT
Renamed residues includes: 348-WAT
Renamed residues includes: 349-WAT
Renamed residues includes: 350-WAT
Renamed residues includes: 351-WAT
Finish generating the leap input file.
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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.
 
