On Mon, Nov 14, 2011, Crystal.CHIA-YU Ku wrote:
>
> MG ion is another problem when I load pdb file of my receptor-ligand
> pair, xleap cannot recognize two MG ions and the ligand. I tried to
> remove the connectivity of the two MG ions, which means I let two MG
> ions stand alone. But this way has not worked. I also modifed the
> ions94.cmd; however, this way has not made success. I always get error
> message like this:
> FATAL: Atom .R<MG 89>.A<MG 1> does not have a type.
> FATAL: Atom .R<MG 90>.A<MG 1> does not have a type.
We need more details, about exactly what commands you gave, how you modified
ions94.cmd, etc. It often helps to use the "desc" command in LEaP to see
what is inside your units, e.g. "desc MG.1" will give you a list of the atom
names and types.
...dac
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Received on Tue Nov 15 2011 - 05:30:03 PST
