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

From: Ben Roberts <ben.roberts.geek.nz>
Date: Sun, 13 Mar 2011 14:42:29 -0400

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 - 12:00:04 PDT
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