On Fri, Jan 27, 2006, Kenley Barrett wrote:
>
> I am trying to use the ADP parameters downloaded from the AMBER website; the
> parameters of Meagher KL, Redman LT, Carlson HA* Journal of Computational
> Chemistry* *2003*,*24*,1016. For some reason when I try to build the prmtop
> and inpcrd files, XLeap claims that it does not recognize the atoms "O1B",
> "O2B", and "O3B" of the atom type "O3".
Did you read and follow the last item in the "comments" section in the
explanation page:
http://pharmacy.man.ac.uk/amber/cof/phos_inf.html
You need to modify your leaprc file to identify the O3 atom type.
If you did this and still have problems, please post the *exact* error
message.
...regards...dac
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Received on Sat Jan 28 2006 - 06:10:06 PST
