On Mon, Feb 01, 2010, Beale, John wrote:
> I am trying to process in leap a protein that is bonded to a short
> single strand of DNA. I am getting FATAL errors that look like this:
>
> FATAL: Atom .R<DT 262>, A<OP1 33> does not have a type.
>
> I am trying to use as the force field ff03. Can someone give me some
> guidance on how to get around these errors?
>
We have not yet updated the leaprc.ff03.r1 file to convert the new pdb
(version 3) residue and atom names to what ff03 uses. Try using the attached
file in place of the one you were using.
Notes:
(1) The ff03 force field was only developed for proteins; the nucleic
acid part is the same as ff99.
(2) The leaprc.ff99SB and leaprc.ff99sbc0 files should already work with
newer (version 3) pdb files.
...good luck...dac
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Received on Mon Feb 01 2010 - 08:30:03 PST
