Hi I have a protein+several ligand in the simulation box. After 5ns, the protein drift to the right edge of the box and the ligand drift to the left edge of the box.
with this command => trjconv -pbc atom -center rect the most part of the protein is still in the right edge of the box the small part of the protein is shifted in the left edge of the box and i can clearly see that the ligand attach onto the protein. but, the protein is NOT in the center of the box ??? so, how can i use trjconv command to center protein and to see the ligand attaching on the protein? Thank you Lin _______________________________________________ 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/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/mailing_lists/users.php
