[gmx-users] question about default parameter for g_hbond

Thomas Schlesier schlesi at uni-mainz.de
Tue Nov 4 12:42:56 CET 2008


> ------------------------------
>
> Message: 2
> Date: Tue, 04 Nov 2008 09:38:21 +0100
> From: Andreas Kring <akring at fys.ku.dk>
> Subject: Re: [gmx-users] question about default parameter for g_hbond
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID: <491009FD.2080106 at fys.ku.dk>
> Content-Type: text/plain; charset=ISO-8859-15; format=flowed
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> Thomas Schlesier skrev:
>   
>> Hi all,
>> does somebody know from where the default parameters for g_hbond (angle
>> Acceptor-Hydrogen-Donor = 30? ; distance Acceptor-Donor = 0.35nm) are?
>> I found nothing in the manual about that.
>>     
>
> Maybe you can find a hint in Luzar et al., J. Chem. Phys., 98, 8160 (1993)
>
> Regards
> Andreas
>   
Thank you all for the literature. It helped me.
Thomas
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