[gmx-users] Fwd:question on salt bridges
kongren at emails.bjut.edu.cn
Mon Oct 10 03:52:45 CEST 2005
>From: Longzhu Shen <lzshen at emails.bjut.edu.cn>
>To: kongren at emails.bjut.edu.cn
>Subject: question on salt bridges
>Date:Sun, 9 Oct 2005 11:53:52 -0400
> 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.
> Longzhu Shen
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