Editing ChargeCalculator:FAQ (section)

=After uploading my molecule, I got the warning "Atoms in the residue contain multiple names". How will it affect my calculation?=

This generally occurs if the chain ID is not explicitly included in the input file, but the molecule contains multiple chains with overlapping residue serial numbers. Since no chain IDs are available, '''ACC''' assumes that everything belongs to one chain. When it reads atoms with a residue serial number that has already been loaded, it basically overwrites the composition of the residue with that serial number. Consequently, the computation will run, but the results will not be meaningful for the affected residues, and possibly even for neighboring residues.

'''ACC''' provides <span style="color:#DAA520">''check chain ID'' warnings</span> both before and after the computation if this problem is detected, so that the input file can be corrected. Depending on how you generated the input file, this problem may or may not occur. For example, if your structure has multiple chains, and you plan to use the [http://nbcr-222.ucsd.edu/pdb2pqr_1.8/ pdb2pqr server] to add H to your structure and save it in .pqr format, you must remember to tick the option ''Add/Keep chain IDs in the pqr file'' in order to produce correct output.