[gmx-users] Whics is correct coordinate file for enditing?

[David]

On Wed, 2004-03-31 at 19:57, xiaobing tian wrote:
> Hi David,
>  
> Thank you for your reply.
>  
> First of all, I tried to edit coordinate file, such as 1az8.pdb and
> 1az8.gro files. Unfortunately, there are not any values of bond length
> listed in those files. 
> Did I choose wrong files?
you have to edit the coordinates and compute the bondlengths on a piece
of paper.

>  
> Thanks again,
>  
> Xaobing
> 
> David <spoel at xray.bmc.uu.se> wrote:
>         On Wed, 2004-03-31 at 19:17, xiaobing tian wrote:
>         > Dear David and Dallas,
>         > 
>         > Is it OK to increase the tolerance to 15-25%?
>         I don't care... If you think there should be a SS bridge do
>         whatever you
>         like to get it...
>         
>         As a general rule 10% should be enough. There are also ions
>         that are
>         coordinated by Cys residues, and we don't want to create
>         chemical bonds
>         between these ligands.
>         
>         > 
>         > Thanks,
>         > 
>         > Xiaobing
>         > 
>         > David wrote:
>         > On Wed, 2004-03-31 at 16:51, xiaobing tian wrote:
> 
> 
> Xiaobing Tian Ph.D.
> Department of Microbiology and Immunology
> Thomas Jefferson University
> 1025 Walnut St., Suite 420
> Philadelphia, PA19107
> Phone: 215-955-1364 (Lab)
> 
> 
> ______________________________________________________________________
> Do you Yahoo!?
> Yahoo! Finance Tax Center - File online. File on time.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++