Dear Justin Thank you for your reply,
> > > On 2/19/13 4:57 PM, Ali Alizadeh wrote: >> Dear All users >> >> There are a wall(a gold crystal with 111 orientation) and a bulk of >> fluid(alkane) in my simulation box, >> >> My problem is, Is it possible to use a force filed for Au? Beside, Can >> I use two force field at the same time? >> > > You need a self-consistent force field that adequately describes all of the > elements of your system. Mixing and matching, even if syntactically possible > through topology manipulation, leads to junk that no one should believe. Why? In your opinion, Is there a force field for Au in gromacs? Can I simulate this system by gromacs? > > -Justin > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin -- Sincerely Ali Alizadeh -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
