[gmx-users] Fwd:question on salt bridges

孔韧 kongren at emails.bjut.edu.cn
Mon Oct 10 03:52:45 CEST 2005


>From: Longzhu Shen <lzshen at emails.bjut.edu.cn>
>Reply-To: 
>To: kongren at emails.bjut.edu.cn
>Subject: question on salt bridges
>Date:Sun, 9 Oct 2005 11:53:52 -0400
>
>Dear Sir/Madam,
> 
> I am using the command g_saltbr to inverstigate the salt bridges based on the 
> trajactory produced by gromacs v3.2.1 program. Out of my expectation, I 
> frequently found pairs between charged residues and non-charged residues, 
> like  GLU   63  VAL  180 , LYSH  146 -- LEU  188 in the file of plus-min.xvg. 
> This really made me a bit confused about the defination on the salt bridge in 
> gromacs. I am wondering whether any experienced users could give me a proper 
> explanantion. Your kindness would be highly appreciated. 
> 
> sincerely,
> 
> Longzhu Shen
>





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