[gmx-users] pdb2gmx

[K.A. Feenstra]

dr.horsfield at physics.org wrote:
> 
> Hi,
> 
> Is it possible to pursuade pdb2gmx not to break my nice single stranded
> protein into three strands?

You must have 'TER' statements in your .pdb file, and/or you have 
chain identifiers that specify the three separate strands. pdb2gmx
does not (ever) decide for itself to break up a protein. For example,
it does check for bond length, but only complains if they seem too
long. It is all in *your* hands!


-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
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