[gmx-users] Query!

[David van der Spoel]

On Tue, 2003-05-06 at 21:46, Swetha Vijayakrishan wrote:
> sir,
> 
> is it possible to run a distance dependent dielectric MD in vaccumm in
> GROMACS with GROMACS96 forcefield ?
> if so can you please let me know what is the parameter that has to be set
> in the mdp file.
No.

The only thing you can do is make table potentials with an 10/r^2 for
the coulomb instead of 1/r

(note that ddd is usually in Angstrom)
> 
> Regards
> 
> Swetha
> 
> 
> 
> 
> 
> 
> 
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> 
> *******************************************************************************
> 
> 
> Swetha Vijayakrishnan
> 
> Project Assistant
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
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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