> Hi, everyone > > I find that i used T and P coupling in water-air interface, that is the > reason my system imploded. > > So i changed to NVT. But there are still fatal errors. > > I have some questions concerning .gro file. > > for example in spc216.gro, there are both + and - psotions. But in other .gro > file, all is + postion. > > What is the difference between .gro ?
No difference since PBC works. Dr. Vitaly V. Chaban -- 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
