Re: [AMBER] parameter file for modified nucleosides (O6-methyl guanine)

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Wed, 3 Mar 2010 09:41:36 -0800 (PST)

> Even I changed C2 H57 N2 H59 and
> H55 N9 C8 N7
> to C2 H21 N2 H22 and
> H8 N9 C8 N7
> I got the same error.

I doubt there is an atom type H21 for example. Names and types are
different and need to be correct. If you 'edit DG', select all atoms,
and 'edit selected atoms', you will see names and types juxtaposed
and maybe will be able to map proper types to your own residue.

Note: types will not appear in a pdb, they are only in the ff residue
template.

Bill

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Received on Wed Mar 03 2010 - 10:00:02 PST
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