On Wed, Apr 23, 2008, taufik.alsarraj.utoronto.ca wrote:
> I was fortunately able to save a silica slap in mol2 format and i can
> load it in xleap and view the structure using edit. However i cannot
> use the command saveamberparm, i get many many errors
>
> for atom .. could not find type ...O.3 or Si
>
> I am using AMBER9
> I used leaprc.ff03ua
The standard amber parameters files, like ff03ua, are for proteins and nucleic
acids. They are not suitable for things like silica. Amber doesn't contain
force field for silica: you will have to construct your own, or get them from
the literature.
...dac
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Received on Sun Apr 27 2008 - 06:07:35 PDT
