On Thu, 2010-02-11 at 14:41 +0100, Gerrit Groenhof wrote: > Hi Ake, > you can download two files at > > wwwuser.gwdg.de/~ggroenh/ffamber03.tar.gz and > wwwuser.gwdg.de/~ggroenh/qmmm_input.tar.gz > > First is the forcefield files (GMXLIB shoul point there) > second is qmmm input files for a QM/MM simulation.
Ok. Do you have the outputs from a known good run of them too to compare with? And I would also like a set of instructions on how run this since I'm not a real Gromacs user and would easily make mistakes. (Just a sysadmin trying to get things to work :-) -- Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden Internet: a...@hpc2n.umu.se Phone: +46 90 7866134 Fax: +46 90 7866126 Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.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
