Jochen Hub wrote: > Lee Soin wrote: >> Hello, all! I intend to simulate a protein confined in a box. Can anybody >> tell me how to define a boundary, or a wall, in GROMACS? Thanks! > > As far as I know Berk has implemented walls in gromacs 4.0. Check the > new mdp options. Are you sure that you do not want to use peridic > boundary conditions?
Actually it would be nice to have all such new features included in the Release Notes : http://www.gromacs.org/content/view/181/132/ Even if the wall feature is present in Gromacs 4.0, it is not there in the "New features" list! Regards, Suman. -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. _______________________________________________ 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
