Thank you Alex,
I am sending the three input files.
P.S.: The ste.lib file is given here with simple .txt format as .lib file
fails to send.
Regards
On Mon, Jun 4, 2012 at 2:54 PM, Alex Rodriguez <alexdepremia.gmail.com>wrote:
> 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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> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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- application/octet-stream attachment: ste
Received on Mon Jun 04 2012 - 03:30:02 PDT
