Hi,
follow tutorial B4 , u need to generate the frcmod file and then upload the
frcmod file for the missing parameters and then check your ligand so that
they r no missing parameters. Nothing to worry :)
sid
On Fri, Apr 8, 2011 at 11:07 PM, George Tzotzos <gtzotzos.me.com> wrote:
> Hi everybody,
>
> I'm trying to generate ligand input files for an MD ligand/protein
> simulation.
>
> My ligand is caryophyllene (see snapshot)
>
> The ligand caryo.pdb has been generated with Chimera and the caryo.mol2
> file with antechamber.
>
> Checking the unit ("check CARYO) gives the following output
>
>
> Checking 'CARYO'....
> Checking parameters for unit 'CARYO'.
> Checking for bond parameters.
> Checking for angle parameters.
> Could not find angle parameter: cy - c2 - c3
> Could not find angle parameter: c2 - cy - hc
> There are missing parameters.
> Unit is OK.
>
> I'm reluctant to continue given that the above parameters are missing.
>
> I'd appreciate any suggestion on solving this problem
>
> A good evening to all
>
> George
>
>
>
>
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Received on Fri Apr 08 2011 - 14:30:05 PDT
