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 <sp...@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. > sp...@xray.bmc.uu.se http://folding.bmc.uu.se > -- > gmx-users mailing list gmx-users@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-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > >
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