Hi I want to use a solvent with two types molecules (for example linear and cyclic Glucose form). How can I fill box with them?
I highly appreciate for advice given me! Best Regards Rasoul On Sat, Jan 16, 2010 at 11:42 AM, David van der Spoel <sp...@xray.bmc.uu.se>wrote: > leila karami wrote: > >> Dear David >> in genbox command system solvated by water molecule by default. but I >> want solvent except water. >> leila karami >> >> OK, now I understand. > > You can give to genbox any solvent that you like, provided that each > molecule consists of a single residue (the residue number is used to > distinguish molecules). In the gromacs distribution there are a couple of > other solvents present. Look in share/gromacs/top directory of your > installation (or roll your own). > > -- > David van der Spoel, Ph.D., Professor of Biology > Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University. > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755. > sp...@xray.bmc.uu.se sp...@gromacs.org 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/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/mailing_lists/users.php >
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