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

xiaobing tian xiaobingtian at yahoo.com
Wed Mar 31 19:59:00 CEST 2004

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?
Thanks again,

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)

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