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. Hope it helps. Gerrit > > Message: 1 > Date: Thu, 11 Feb 2010 10:05:56 +0100 > From: Ake Sandgren <[email protected]> > Subject: [gmx-users] Need small well known QM/MM example > To: [email protected] > Message-ID: <[email protected]> > Content-Type: text/plain > > 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
