Hi, I am trying to start a simulation involving self-assembly of protein on Au (111) surface where 111 designates the miller indices of the plane.
I know how to construct a FCC lattice and the coordinates of a system using Fortran code. But I have no clue of how to get the coordinates of (111) plane of FCC lattice (possibly by modifying the Fortran code for FCC lattice construction). When I searched similar kind of work on gromacs user archive I found plenty of discussions regarding the simulation of this kind . However,Though It may be trivial for most simulation-people, I did not get any idea (mainly technical details) of how to get the coordinates of a (111) surface. Any help in this respect (regarding algorithm of constructing 111 surface or corresponding Fortran code ) will be greatly appreciated. Also, let me know whether there is any option in gromacs or any other programme to generate the 111 surface. . Thanks in advance, Jagannath Mondal Download prohibited? No problem! To chat from any browser without download, Click Here: http://in.messenger.yahoo.com/webmessengerpromo.php _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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