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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jan 23 2011 - 21:00:04 PST
