Dear All,
I need some help to insert some Cl atom and attach to my atom file. The atoms are: HET CL A1174 1 HET CL A1175 1 HETNAM CL CHLORIDE ION FORMUL 2 CL 2(CL1 1-) FORMUL 3 HOH *119(H2 O1)
HETATM 887 CL CL A1174 -48.597 14.617 -86.523 1.00 42.42 CL HETATM 888 CL CL A1175 -43.313 22.617 -80.666 1.00 46.05 CL HETATM 889 O HOH Z 1 -22.832 8.494 -87.572 1.00 41.36 O HETATM 890 O HOH Z 2 -24.042 4.420 -89.079 1.00 58.80 O HETATM 891 O HOH Z 3 -24.444 9.116 -90.286 1.00 32.67 O HETATM 892 O HOH Z 4 -23.398 7.438 -99.414 1.00 45.67 O HETATM 893 O HOH Z 5 -25.681 7.217 -92.041 1.00 44.81 O HETATM 894 O HOH Z 6 -21.582 10.893 -97.569 1.00 30.12 O
Another qestion, I can I use the optimize command? Thanks for your help,
Ricardo Leite