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
<[EMAIL PROTECTED]> 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
<[EMAIL PROTECTED]> 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.
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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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: [EMAIL PROTECTED]
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[EMAIL PROTECTED]
University of Bristol, UK.
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