Re: AMBER: saveamberparm

From: David A. Case <>
Date: Thu, 24 Apr 2008 07:58:20 -0700

On Wed, Apr 23, 2008, 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.


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Received on Sun Apr 27 2008 - 06:07:35 PDT
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