Hi! I need a small QM/MM gromacs input data with a well known result (and preferably the output too) to compare to the gromacs/gamess-uk setup i'm testing.
Does anyone have something i can use? -- Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden Internet: [email protected] Phone: +46 90 7866134 Fax: +46 90 7866126 Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
