On Tue, Apr 19, 2005, ?????? wrote:
> Thanks! The ligand is sildenafil. When I use:
> antechamber -i sid.out -fi gout -o sid.prep -fo prepi -c resp
> and
> parmchk -i sid.prep -f prepi -o sid.frcmod
> There is not any ATTN REVISION information in the sid.frcmod file. But When
> I load the parameters to my PDB file, the system always tell me there is one
> unknown element.
I don't understand what you mean when you say "load the parameters into my PDB
file". Can you say exactly what you tried, and what the exact message was
that resulted?
> So I have to use the fllowing order:
> antechamber -i sid.out -fi gout -o sid.prep -fo prepi -c resp -at amber
This won't work (as you know): There are no Amber atom types for this type of
functional group.
....dac
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Received on Tue Apr 19 2005 - 05:53:00 PDT
