Editing ChargeCalculator:Index (section)

==Computation Method==
The '''computation method''' refers to the EEM implementation that will be used during the atomic charge calculation , along with related computation ''options'' specific to each method. 

{| class="wikitable"
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 |'''Ignore Waters'''
 |-
 |''Description:'' do not include water molecules in the atomic charge calculation. Specifically, all atoms annotated with a residue name typically associated with water (HOH, WAT, H2O) are not included in the EEM matrix. Other residue names sometimes associated with water, such as SOL and TIP, are not considered here because the Protein Data Bank contains instances of such residues which are chemical components different from water. Thus, if you wish to ignore water which is annotated in your file as SOL or TIPx, you will need to remove these records before submitting to '''ACC'''.
 |-
 |''Possible values:''  False (default), True.
 |}

{| class="wikitable"
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 |'''Precision'''
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 |''Description:'' Number of bits (64 or 32) used to represent charges.
 |-
 |''Possible values:'' Double (64-bit numbers, default), Single (32-bit numbers).
 |}

{| class="wikitable"
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 |'''Cutoff Radius'''
 |-
 |''Description:'' Parameter of the ''EEM Cutoff'' and ''EEM Cutoff Cover'' methods. Controls the number of atoms included in each reduced EEM matrix, based on their distance (in ångströms) from a pivot atom. Accuracy and computation time increase with ''Cutoff Radius''. 
 |-
 |''Possible values:'' up to 17. Recommended 8-15.
 |}