[gmx-users] Is there a way to use diffrent scaling factors for 1-4 interaction?

[David]

On Sat, 2005-11-05 at 13:42 +0800, Xiaobing Feng wrote:
> Dear gmx-users,
> 
>     I'm converting a force field from DLPOLY to GROMACS.
>   There are two different 1-4 interactions, one has full 1-4 LJ and Coulomb 
>    interaction, the one has scaling factor 0.0 and 0.617 for 1-4 LJ and Coulomb
>    interaction, respectively.  Is there a way in GROMACS in which we can
>     use different scaling factors for different 1-4 interactions?
By specifying a complete matrix of pairtypes

> 
>      Many thanks,
> 
>       Xiaobing
> 
> 
> 	
> 
> 	
> 		
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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