[gmx-users] how can i choose combination rules in Lennard-Jones interaction

[Erik Lindahl]

Paper Manual -> Index -> "Combination Rules"

Cheers,

Erik

On Dec 22, 2005, at 10:54 AM, 主月 ：） wrote:

> Hi everyone:
> The Lennard-Jones interaction in GMX has two parameters.C(12)ij and  
> C(6)ij or Eij and rij .I want to set different value for them but  
> the value should set to C(12)ij and C(6)ij or Eij and rij .
>
>
> And the two types of combination rules can be used within GROMACS,  
> how can i choose them ?
> <clip_image002.jpg>
>
>
>
> <clip_image002.jpg>
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-----------------------------------------------------------
Erik Lindahl  <lindahl at sbc.su.se>     Backup address:  
<erik.lindahl at gmail.com>
Assistant Professor, Computational Structural Biology
Stockholm Bioinformatics Center, Stockholm University, SE 106 91  
Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214




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