[gmx-users] confused about rcoulomb<=rlist

[David van der Spoel]

Berk Hess wrote:
> 
>>
>> So I will implement this for Gromacs 4.0.
>>
>> The only, technical, detail is if one would want to determine
>> beta with rcoulomb or with rcoulomb_switch,
>> as the real space part will start deviating from rcoulomb_switch.
>> But I would prefer rcoulomb for consistency reasons.
> 
> I have committed the new PME-Switch electrostatics option.
> 
> Berk.
> 
> 
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In both 3.3 and 4.0?


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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://folding.bmc.uu.se
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