Dear Justin I want to study translocation of drug molecule in lipid bilayer.
My gro file after minimization is em2.gro. After NPT-MD simulation, I obtained npt.gro and 0.xtc files. When I see trajectory by vmd, there are some things abnormal. I guess there is pbc problem. I attached these 3 files. Please after viewing them, tell me is my guess true. If yes, please guide me how to fix it. If no, please tell me what is problem? https://www.dropbox.com/s/d0hppxdngj7xwst/em2.gro https://www.dropbox.com/s/gnqf6fuxwwj0zzt/npt.gro https://www.dropbox.com/s/w899y86mhp0ysbo/0.xtc Best wishes -- 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
