[Dr.K.Sekar]

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        Dear all,

        I am experiencing some problems while refining
        calcium and chloride ions using REFMAC.
        I woule like to know how to specify these
        atoms in the input PDB file. For example,
        I specified the atoms like the following

ATOM 1994 OH2 HOH X 246 21.664 10.820 72.985 1.00101.60 O 
ATOM 1997 OH2 HOH X 247 21.612 -9.101 62.970 1.00 36.15 O 
ATOM 2000 OH2 HOH X 248 21.889 12.383 61.795 1.00 34.04 O 
ATOM 1006 CA CA2    124 31.494  7.328 62.977 1.00 12.64 
ATOM 1007 CL CL1    125 34.618 12.041 77.686 1.00 12.64 
END 

        regards,

        Seka