Re: AMBER: Amber parameters for ADP

From: David A. Case <>
Date: Sat, 30 Jul 2005 10:08:08 -0700

On Sat, Jul 30, 2005, zgleo wrote:

> Has anybody used the ADP parameters of Carlson
> ( I found that the topology of the
> molecule is not correct while viewing in xLeap. I don't know if this is
> relevant for the use of the parameter. Can anyone give some idea?

The topology (bond connectivity looks fine. The O3B atom seems to be located
in a bad place. This would not be a problem if (as is most common) you load
the coordinates from a pdb file. But it probably should be fixed so that the
file can be used for model building as well.


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Received on Sat Jul 30 2005 - 18:53:00 PDT
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