[gmx-users] Implicit solvent simulation

[TJ Piggot]

If you REALLY want implicit solvent then i suggest you contact the authors 
and ask them about it, however i (like most others i think) have never 
needed to use implicit solvent.

Tom

--On Wednesday, July 18, 2007 16:17:01 +0200 Ran Friedman 
<r.friedman at bioc.unizh.ch> wrote:

> Dear Tom,
>
> The paper is available and was mentioned in the list. The model,
> however, isn't available AFAIK.
>
> Ran.
>
> TJ Piggot wrote:
>> Hi,
>>
>> Just to let people know in case they are unaware there is a paper
>> where implicit solvent models have been implemented in GROMACS, the
>> paper can be found using the following link:
>>
>> http://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pubmed&pubmedid
>> =15814616
>>
>>
>> Tom
>>
>> --On Wednesday, July 18, 2007 15:39:43 +0200 David van der Spoel
>> <spoel at xray.bmc.uu.se> wrote:
>>
>>> SeungPyo Hong wrote:
>>>> Thank you for your kind reply, Stephane.
>>>> Anyhow it is a little disappointing that Generalized-Born is not
>>>> implemented in Gromacs.
>>>>
>>>
>>> I've put it on the development TODO list (feel free to volunteer)
>>>
>>> http://wiki.gromacs.org/index.php/Implicit_Solvent
>>>
>>> The reason it is not there is because none of the developers has
>>> considered it worthwhile.
>>>
>>> --
>>> David van der Spoel, Ph.D.
>>> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
>>> Box 596, 75124 Uppsala, Sweden. Phone:    +46184714205. Fax:
>>> +4618511755.
>>> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://folding.bmc.uu.se
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>>
>>
>>
>> ----------------------
>> TJ Piggot
>> t.piggot at bristol.ac.uk
>> University of Bristol, UK.
>>
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>
>
> --
> ------------------------------------------------------
> Ran Friedman
> Postdoctoral Fellow
> Computational Structural Biology Group (A. Caflisch)
> Department of Biochemistry
> University of Zurich
> Winterthurerstrasse 190
> CH-8057 Zurich, Switzerland
> Tel. +41-44-6355593
> Email: r.friedman at bioc.unizh.ch
> Skype: ran.friedman
> ------------------------------------------------------
>
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----------------------
TJ Piggot
t.piggot at bristol.ac.uk
University of Bristol, UK.