[gmx-users] Implicit solvent simulation

[Ran Friedman]

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
------------------------------------------------------