AMBER Archive (2006)

Subject: Re: AMBER: problem with saving the parameters file

From: David A. Case (case_at_scripps.edu)
Date: Wed Jul 05 2006 - 13:09:12 CDT

On Wed, Jul 05, 2006, amere swathi wrote:

> I have solvated the protein using TIP3PBOX 8 2. When I try to save the
> topology and coordinates file ( .top and .rec) using the following command
>
> >saveamberparm prot rec.top rec.crd
>
> the files are not being saved with the following error message.
>
> could not find angle parameter: N-CT-N

Is this a standard protein? In ordinary structures, an atom of type CT would
not be between two "N"s. If you have an unusual structure, you will have to
create your own parameters, perhaps via antechamber.

...regards...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu