Just to clarify. I would run trjconv -f *.gro -s *.tpr -pbc nojump -o out.gro?
What would I run next? Thanks, Ilya On Tue, Apr 22, 2008 at 2:59 PM, Xavier Periole <[EMAIL PROTECTED]> wrote: > On Tue, 22 Apr 2008 14:14:19 -0700 > "Ilya Chorny" <[EMAIL PROTECTED]> wrote: > > > Hello, > > > > I am simulating a trimer in a membrane. In one of my simulation two of > > the > > monomers are on one side of the box and the other monomer is on the > > other > > side of the box. I tried using trjconv to center the whole thing in the > > center of my simulation cell but have failed miserably. I also searched > > around for about an hour and could not find anything. > > > > I use trjconv -f *.gro -s *.tpr -center rect -pbc whole -o *.gro. > > > first run > trjconv -pbc nojump > > > Any advice? > > > > Thanks, > > > > Ilya > > > > -- > > Ilya Chorny Ph.D. > > > > ----------------------------------------------------- > XAvier Periole - PhD > > NMR & Molecular Dynamics Group > University of Groningen > The Netherlands > http://md.chem.rug.nl/~periole > ----------------------------------------------------- > _______________________________________________ > 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 > -- Ilya Chorny Ph.D.
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