[AMBER] question on antechamber generating parameters for a charged ligand

From: <fn1.rice.edu>
Date: Fri, 25 Nov 2011 08:17:42 -0600

Hi,

I want to generate the parameter with Antechamber for
7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, where the pdb 1st0
contains this ligand. The question
is that this ligand has 7-methyl group on its nitrogen, which makes it
have a one
positive formal charge. However, Antechamber could not detect the
charge here and
regard the whole ligand as a neutral one.

Could anyone please give some suggestions on this?

Thank you very much!
Regards,
Fengyun


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Received on Fri Nov 25 2011 - 06:30:02 PST
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