Hi All,
After I remove the water molecules, an average structure was calculated, but
the output PDB file does not look right.
pdb file:
ATOM 1 HO1 ROH 1 ************************ 0.00 0.00
ATOM 2 O1 ROH 1 ************************ 0.00 0.00
ATOM 3 C1 4GA 2 ************************ 0.00 0.00
ATOM 4 H1 4GA 2 ************************ 0.00 0.00
ATOM 5 C2 4GA 2 ************************ 0.00 0.00
ATOM 6 H2 4GA 2 ************************ 0.00 0.00
........
Thanks!
Bingwu
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Received on Tue Mar 22 2011 - 14:00:02 PDT
