editconf is a nice tool to create vacuum in your box. You can then insert one of your box into another box using cat box1.gro box2.gro, just remove the very last line in box1.gro.
Dr. Vitaly Chaban On Tue, Jun 4, 2013 at 2:46 PM, Bao Kai <paeanb...@gmail.com> wrote: > Hi, all, > > I want to do NPT simulations with different compositions first. Then I want > to connect the two boxes to continue the NPT simulation. > > I mean, after simulations, we get two boxes with different compositions. > > Can we do that with gromacs? or how can we do that? > > Thanks. > > Best, > Kai > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
