Dear Gmx Users, I pulled my ligand away from the protein and I found out that after getting rid of PBC (trjconv -pbc whole) my ligand goes outside the box? Is it fine or should I increase my box as I want to run umbrella sampling?
Thanks, Steven
-- 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
