[gmx-users] charges

[R.Perez Garcia]

Dear prof. van der Spoel,
I know.. Dr. Alex de Vries is supervising me for my colloquium. Unfortunately (for me), they are very busy and (mainly) I am doing four months stage at Perugia universityv (It) which means I can not personally ask...so I prefer to ask the list.
Thank you for your answer, even if the literature concerning virtual charges is not a lot, I will keep looking.
Best regards: R

On 02-04-12, David van der Spoel  <spoel at xray.bmc.uu.se> wrote:
> On 2012-04-02 20:29, R.Perez Garcia wrote:
> >Dear GROMACS users,
> >I would like to place the charge more localized in the "bonds region"
> >and not exactly in the atoms.
> >Please let me know if you know there is a way to do this in GROMACS.
> >Thank you in advance, R
> >
> >
> Yes, using virtual sites.
> There's an expert group of gromacs users at the department of biophysical chemistry at your university, Marrink. You may want to talk to then.
> 
> -- 
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
> spoel at xray.bmc.uu.se    http://folding.bmc.uu.se
> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> 
> 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120402/a05250bc/attachment.html>