[gmx-developers] Constant potential method

[Erik Lindahl]

PS: 

In general, to get action/response it is usually a good idea to write up an executive summary of the method and why it is expected to have broad impact rather than hoping people will read through an 8-page paper ;-)

Cheers,

Erik

Erik Lindahl <erik.lindahl at scilifelab.se>
Professor of Biophysics
Science for Life Laboratory
Stockholm University & KTH
Office (SciLifeLab): +46 8 524 81567
Cell (Sweden): +46 73 4618050
Cell (US): +1 267 3078746


> On 6 Aug 2018, at 15:45, Szilárd Páll <pall.szilard at gmail.com> wrote:
> 
> 
> 
>> On Mon, Aug 6, 2018 at 3:40 PM Benson Muite <benson.muite at ut.ee> wrote:
>> Hi,
>> 
>> It has been suggested to add the constant potential method to Gromacs 
>> and a number of us are looking at doing this. An implementation of the 
>> method is described at:
>> https://arxiv.org/pdf/1408.0839.pdf
>> 
>> Would this be worthwhile? Can open an issue in Gerrit,
> 
> Even if you have code ready, redmine.gromacs.org is the right place to draft the concrete proposal for the feature.
> 
> Cheers,
> --
> Szilárd
>  
>  
>> but if there are 
>> any quick comments, this would be helpful
>> 
>> Thanks,
>> Benson
>> -- 
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