Nohow. Numbers in GRO files serve exclusively decorative function.
Dr. Vitaly Chaban On Tue, Jun 4, 2013 at 4:12 PM, Bao Kai <paeanb...@gmail.com> wrote: > Hi, > > > I guess the renumbering of the atoms and molecules will be a problem, > especially when the two boxes contain the same type of the molecules. > > > How can we handle that? > > > Thanks. > > > Best, > > Kai > > > > > 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 <paeanball at gmail.com > <http://lists.gromacs.org/mailman/listinfo/gmx-users>> 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 at gromacs.org < > http://lists.gromacs.org/mailman/listinfo/gmx-users>*>* > http://lists.gromacs.org/mailman/listinfo/gmx-users*>* * Please search > the archive at*>* http://www.gromacs.org/Support/Mailing_Lists/Searchbefore > posting!*>* * Please don't post (un)subscribe requests to the list. > Use the*>* www interface or send it to gmx-users-request at gromacs.org. < > http://lists.gromacs.org/mailman/listinfo/gmx-users>*>* * 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 > -- 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