Re: [AMBER] problem in reading pdb file

From: case <case.biomaps.rutgers.edu>
Date: Tue, 15 May 2012 04:18:03 -0400

On Tue, May 15, 2012, Asmita Gupta wrote:
>
> I have a PDB file of RNA crystal structure.
>
> Unknown residue: C number: 0 type: Terminal/beginning
> ..relaxing end constraints to try for a dbase match
> -no luck
> Unknown residue: G number: 1 type: Nonterminal

We need to know what your pdb file looks like (at least for the first couple
of residues), and, more importantly, what force field and Amber version you
are loading, that is, exactly which commands you gave to LEaP. You should
be using either ff10 or ff12SB to smoothly read PDB files that conform to PDB
format 3.x.

....dac


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Received on Tue May 15 2012 - 01:30:04 PDT
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