Dear case
very very thank you, I have created inpctd file and prmtop file for my dye.
subrata
On Mon, Jan 24, 2011 at 8:46 AM, Jason Swails <jason.swails.gmail.com>wrote:
> Try removing the CONECT cards from the pdb and retrying.
>
> Good luck,
> Jason
>
> On Sun, Jan 23, 2011 at 11:35 PM, subrata paul <paul.subrata34.gmail.com
> >wrote:
>
> > Dear Case
> >
> > Thank you and sorry for the inconvenience.
> >
> > I have already gone through this tutorial, and i already tried for my
> > compound.When I run with this command ,I got following error.
> > antechamber -i dye.pdb -fi pdb -o dye.mol2 -fo mol2 -c bcc -s 2
> > 1 is not a valid atom id in CONECT 1 6
> >
> > How can i solve this?
> >
> > thanking you
> > subrata
> > On Sat, Jan 22, 2011 at 6:54 PM, case <case.biomaps.rutgers.edu> wrote:
> >
> > > On Sat, Jan 22, 2011, subrata paul wrote:
> > > >
> > > > I want to save prmtop and inpcrd file for a dye. First, I loaded the
> > pdb
> > > > file for dye.
> > > > Then I tried to save the prmtop and inpcrd file but some FATAL error
> is
> > > > coming.
> > >
> > > Please follow the procedure outlined in Tutorial B4 to set up a
> > simulation
> > > for
> > > a general organic molecule.
> > >
> > > [Also, think about what someone reading your email would learn about
> your
> > > problem: basically nothing. You tried to run Amber (probably the tleap
> > > program) and you encountered some error. You won't get much help from
> a
> > > mailing list without providing *some* level of detail.]
> > >
> > > ...dac
> > >
> > >
> > > _______________________________________________
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> > >
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> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
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Received on Sun Jan 23 2011 - 22:00:02 PST
