Hi,
could you send the leap input file?
With the information in the e-mail I could tell you that may be you are not
loading the protein force field parameters/topologies, but I would need the
full leap input/output to confirm it.
Regards
Alex.
On Mon, Jun 4, 2012 at 11:47 AM, Asma Abro 28-FBAS/MSBI/F09 <
asma.msbi28.iiu.edu.pk> wrote:
> Hi all,
>
> I am working on the simulation of ligand-protein docked complex. After
> successful creation of ligand library, now I am trying to load the complex
> with the command
>
> complex = loadpdb
> Dock_ste.pdb<
> http://ambermd.org/tutorials/basic/tutorial4b/files/1FKO_trunc_sus.pdb>
>
> It looks like its working fine but when I write the command
>
> saveamberparm complex Dock_ste.prmtop Dock_ste.inpcrd
>
> It gives the error:
>
> FATAL: Atom .R<PRO 227>.A<HD2 3> does not have a type.
> .
> .
> .
> .
> .
> FATAL: Atom .R<STE 289>.A<6HC4 129> does not have a type.
> Failed to generate parameters
> Parameter file was not saved.
>
> Can someone please help how to remove this error? i have checked archives
> too for the rectification of this error but my problem persists anyhow :(
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Received on Mon Jun 04 2012 - 03:00:03 PDT
