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
