You probably need to load an ions ff, too. This is a slight change in
behavior from previous. Basically, we tried to get rid of any loads
that weren't absolutely necessary. The idea was to keep people from
being unaware where their parameters were coming from. See the old
leaprc for the ff's that were loaded previously.
On Mon, Jun 11, 2012 at 10:18 AM, Kevin Parkes <Kevin.Parkes.medivir.com> wrote:
> Hi,
>
> I am trying to repeat some calculations I previously ran with ff99SB / GLYCAM_06 in Amber 10 on a protein system containing a glcyosated residue (OLS) and a non-natural residue containing fluorine for which I previously built a library file. Some small modifications are required to adjust for the new atom naming in GLYCAM but otherwise all the components load into tleap without error. However addions and solvateoct appear not to recognise the fluorine atoms and report "using default radius 1.50" and saveamberparm fails altogether with the error "Could not find type: F".
>
> Any suggestions on the cause of this error?
>
> Many thanks
>
> Kevin Parkes
>
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--
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Mon Jun 11 2012 - 09:30:03 PDT
