[gmx-users] md without electrostatic contributions

[David van der Spoel]

On Thu, 2003-02-13 at 13:15, Ester Chiessi wrote:
> Dear Gromacs users,
> 
> How can I perform an md run in vacuo with all electostatic contributions
> turned off?
> What should I have to specify for coulombtype in the .mdp file?
> 
just set the charges to zero. tpbconv can do that.
> Thanks for any help
> 
> Ester
> 
> 
> Dr. Ester Chiessi
> Dipartimento di Scienze e Tecnologie Chimiche
> Universita' di Roma "Tor Vergata"
> Via della Ricerca Scientifica
> 00133 Roma (Italy)
> http://www.stc.uniroma2.it/cfmacro/cfmacroindex.htm
> e-mail:ester.chiessi at uniroma2.it
> Phone: 39*6*72594462
>           39*6*72594874
> Fax:39*6*72594328
> 
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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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