Re: [AMBER] residue split

From: David A Case <>
Date: Tue, 16 Oct 2012 21:27:34 -0400

On Tue, Oct 16, 2012, Carlos Romero wrote:

> but yes i downloaded it from

It's pretty unusual to see this in files from this site. What is the PDB ID?
Did you edit the file before giving it to LEaP?

> > > When I use tleap in order to load my protein, there are warnings that
> > say:
> > >
> > > Warning: name change in pdb file residue 1 ;
> > > this residue is split into SER and GLU.

Take a look at the residue numbers at the beginning of the ATOM cards...
LEaP thinks that residue "1" consists of several residues (GLU, TYR, GLN, THR,
etc.). Sounds like the residue *numbers* are mixed up...are there things
like residue 1A, 1B, etc?


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Received on Tue Oct 16 2012 - 18:30:02 PDT
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