[gmx-users] 1-4 interactions

[David]

On Tue, 2002-10-01 at 19:08, T. Zaraiskaya wrote:
> hi,
> 
> i would like to test GROMOS96 ff with a new set of L-J parameters for
> lipid chains. The normal L-J param, Cii, Cjj are given and the
> dihedral function used is  harmonic.
> 
> In ff*.itp i set
> ;nbfunc  comb-rule  gen-pairs  fudgeL-J   fudgeQQ
>   1       1           yes        ?            ?
> 
> How the program calculates 1-4 interactions? What are the scaling
> coefficients fudgeL-J and fudgeQQ for GROMOS96?
With scaled parameters (look under pairs)
fudge is not used in gromos
> 
> tanay
> 
> 
> 
> -- 
> ====================================
> Tanya Zaraiskaya
> Physics Department
> University of Guelph
> Guelph, ON, N1G 2W1
> CANADA
> email:tz at helios.physics.uoguelph.ca
> phone:(519)824-4120 x8346.
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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