On Sat, Jul 30, 2005, zgleo wrote:
> Has anybody used the ADP parameters of Carlson
> (http://pharmacy.man.ac.uk/amber/)? 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.
....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sat Jul 30 2005 - 18:53:00 PDT
