HETATM 4210 CU CU A 601 -33.513 21.218 -4.759 1.00 21.28 Cu
HETATM 4211 CU CU A 602 -34.609 30.985 -13.514 1.00 15.38 Cu
HETATM 4212 CU CU A 603 -38.943 30.175 -11.542 1.00 16.86 Cu
HETATM 4213 CU CU A 604 -37.270 33.388 -11.656 1.00 19.02 Cu
HETATM 4214 O1 OXY A 605 -36.905 30.873 -12.306 1.00 7.73 O
HETATM 4215 O2 OXY A 605 -37.023 30.208 -12.729 1.00 23.19 O
经查阅文献，说O可以按照OH-处理，但是出现了如下错误，不知如何处理，请教各位老师，非常感谢。
The crystal water oxygen bound to the Cu ion coordinated by His64 and His398 is in all cases represented as a hydroxide ion.
$ antechamber -fi pdb -fo mol2 -i MOH-1.pdb -o MOH-1.mol2 -at amber -c bcc -pf y -nc -1 -rn MOH
出现下面错误
Fatal Error!
This molecule may have more than one unit.
antechamber can only handle one unit. If the input is a single unit
then the connectivity is wrong and the geometry may be bad.
Please convert your molecule to a mol2 file via:
antechamber -j 5 -at sybyl -dr no
And then check your molecule with a visualization program;
manually add missing bonds or delete unwanted bonds as appropriate.