[gmx-users] Implicit solvent simulation

TJ Piggot t.piggot at bristol.ac.uk
Wed Jul 18 16:00:18 CEST 2007


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:



--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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