Actually my doubt was how to make a simulation box from two structure files i.e. how do i keep the clay and poymer boxes close to each other to run energy minimization
Message: 4 > Date: Sun, 31 Mar 2013 07:38:38 -0400 > From: Justin Lemkul <[email protected]> > Subject: Re: [gmx-users] Making composite box in gromacs > To: Discussion list for GROMACS users <[email protected]> > Message-ID: <[email protected]> > Content-Type: text/plain; charset=ISO-8859-1; format=flowed > > > > On 3/31/13 6:38 AM, Abhinav Agrawal wrote: > > I have polymer and clay structures and I need to study their surface > > interaction. How do I keep a clay box on top of polymer. > > > > The concepts of "top" and "bottom" are irrelevant in a periodic system. > You can > position anything within the unit cell wherever you like with editconf > -center. > > -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 > > ======================================== > -- 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
