[gmx-users] RE: vsite problem in gromacs 4.0
larsson at xray.bmc.uu.se
Thu Nov 6 17:45:47 CET 2008
On Nov 6, 2008, at 14:48 , Berk Hess wrote:
> I fixed the virtual site charge group issue in mdrun for 4.0.1.
> Now vsite aromatics will run fine.
> But there is still an issue in pdb2gmx for some proteins
> when selecting the OPLS force field.
> I hope we can fix this for 4.0.1.
Is it something serious? When does it occur?
> > Date: Tue, 4 Nov 2008 11:32:46 -0500
> > From: chris.neale at utoronto.ca
> > To: gmx-users at gromacs.org
> > Subject: [gmx-users] RE: vsite problem in gromacs 4.0
> > Hi Berk,
> > I have taken the information from these posts and created a wiki
> > on the topic:
> > http://wiki.gromacs.org/index.php/
> > However, I was unable to add a link to
> > http://wiki.gromacs.org/index.php/Category:Beginners as the edit tab
> > only allowed me to edit the top content of that page, and not the
> > subcategories.
> > If you have time to edit this new page then that would be great.
> > if anybody knows how to link it then that would also be great.
> > Thanks,
> > Chris.
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