[gmx-users] Re: Preserving chain id/information when using editconf (gromacs 4.0.7)

[Samuel Flores]

hi Shay,

Can you tell me how you resolved this?  I'm having the same issue.

Sam

On Nov 1, 2010, at 12:10 PM, Shay Teaching wrote:

> Sorry - problem resolved :-)
> 
> On Mon, Nov 1, 2010 at 12:55 PM, Shay Teaching <shay.teaching at gmail.com> wrote:
> Hi everyone,
> 
> I've come across some problem: I am simulating a protein that is composed of several chains. My original pdb file includes information about chains but every time I use editconf my chain information vanishes. the only other option I have is using -label which gives bogus results.
> 
> Is there anyway to have editconf preserve the chain information it finds in the original file?
> 
> Much obliged,
> -Shay
> 
> -- 
> --------------------------------------------------------
> Shay Amram,
> M.Sc. Dep. of Biochemistry,
> Faculty of Life Sciences,
> Tel Aviv University,
> www.tau.ac.il/~shayamra
> --------------------------------------------------------
> 
> 
> 
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