AMBER Archive (2004)

Subject: Re: AMBER: Problem in loading a PDB file in Leap - Please help me

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Sat Apr 17 2004 - 00:55:43 CDT


> I am still getting the error
>
> FATAL: Atom .R<MG 295>.A<MG 1> does not have a type.
>
> Can you please let me know how should i go about this?
 
If you type 'list' in leap you will notice that there is no
residue called 'MG', however there is one called 'MG2',
assuming that ions94.lib has been loaded. A 'desc MG2' in
leap will show that the atom is named 'MG'. This indicates
that your atom name in the pdb is correct, however the
residue name should be 'MG2'.

Bill
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