[gmx-developers] Regd. short range interation code.

[David]

On Fri, 2003-08-29 at 21:22, Anjan Raghunathan wrote:
> Hi,
>   Could anyone tell me if do_fnbf() (in src/gmxlib/fnbf.c , called from src/mdlib/force.c) is only to calculate LJ forces or includes the short range part of the electrostatic force calculations too. 
Yes, both VdW and Coulomb


>    If so, how do I turn off this short range electrostatic calculation part(in the code), if I plan to take care of it later in the code?
> 
It's probably easiest to make a special array with charges that are all
zero.


> thanks
> Anjan
> _______________________________________
> 
> Anjan V. Raghunathan
> Graduate Research Assistant
> Computational Electronics Group
> 3213 Beckman Institute,
> Univ. of Illinois at Urbana-Champaign.
> 
> E-mail:araghuna at uiuc.edu 
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> Res: 217-355-5418
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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