Thanks! 2009/2/24 Berk Hess <[email protected]>
> Hi, > > Setting > epsilon_r = 0 > in your mdp file will turn off all electrostatics. > If you are concerned about efficiency, you should set all charges > in your topology to zero. > > Berk > > ------------------------------ > Date: Tue, 24 Feb 2009 09:49:25 +0200 > Subject: Re: [gmx-users] Turning off electrostatic or Van der Waals > interactions > From: [email protected] > To: [email protected] > > > Why not create "dummy" topologies, without charges/vdw ? > Another option, which I am not sure of its effect, is, perhaps, to take > extremely small cutoffs. > --Omer. > > > Lee Soin wrote: > > I'm trying to rule out the effect of electrostatic or Van der Waals > interactions while performing a simulation. Do you mean that I should modify > the code and re-compile? > > > > ------------------------------ > What can you do with the new Windows Live? Find > out<http://www.microsoft.com/windows/windowslive/default.aspx> > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Sun Li Department of Physics Nanjing University, China
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