Yes I tried this and it doesn't work for me. I get: Fatal error: Library file ffG53a6.n2t not found in current dir nor in default directories. (You can set the directories to search with the GMXLIB path variable)
Also, doesn't x2top take in a gro file? (not a pdb) I wrote a script that converts pdb to gro, and I still get the above error. -Adam On 10/10/07, David van der Spoel <[EMAIL PROTECTED]> wrote: > > Adam Fraser wrote: > > Hello, > > > > I'm very new to Gromacs, and I am interested in simulating the > > interactions of 2 hexadecane (C16H34) molecules in water (SPC/E > > specificall). I've spent some time experimenting with tutorials in > > Gromacs, but I've found little help in non-protein simulations like this > > one. > > > > I've built topologies for hexadecane compatible with NAMD, so I figure I > > should be able to do the same in Gromacs but I'm fuzzy on how to go > > about doing so (what files to edit). I was also hoping to get some > > input on which forcefield would be best for this sort of system. > > > > I'd greatly appreciate it if someone could give me some pointers on how > > to get started here. > > > > Thanks very much, > > Adam > > > if you have a pdb file you can run x2top (3.3.2 only). > > > > > ------------------------------------------------------------------------ > > > > _______________________________________________ > > gmx-users mailing list [email protected] > > http://www.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 [EMAIL PROTECTED] > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > -- > 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 > _______________________________________________ > gmx-users mailing list [email protected] > http://www.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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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