Re: [AMBER] error in creating prmtop and inpcrd files

From: Chris Bryant <csb61.case.edu>
Date: Sun, 13 Mar 2011 15:55:51 -0500

Seems like it is all of them. Here is the file I am working with. Does
this answer your question?

On Sun, Mar 13, 2011 at 1:42 PM, Ben Roberts <ben.roberts.geek.nz> wrote:

> Hi Chris,
>
> On 13/03/2011, at 1:48 PM, Chris Bryant wrote:
>
> > Hi Amber mailing list,
> >
> > I am trying to work with my protein using Leap but when I try to create
> the
> > prmtop and inpcrd files, I get the message
> >
> > ........FATAL: Atom .R<ARG 361>.A<HB1 25> does not have a type.
> > FATAL: Atom .R<ARG 361>.A<HG1 26> does not have a type.
> > FATAL: Atom .R<ARG 361>.A<HD1 27> does not have a type.
> > FATAL: Atom .R<ASN 364>.A<HB1 15> does not have a type.........
> >
> > I am using the ff99SB forcefield, and I used the saveamberparm command.
> Any
> > advice on getting Leap to work with my file? I am wondering if it might
> be
> > a formatting issue. Here is a line from the pdb file:
>
> Could you show us the ATOM records that are affected?
>
> Ben
>
>
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Received on Sun Mar 13 2011 - 14:00:04 PDT
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