Dear all, If pbc is full or xyz in mdp file, do i need to use the "trjconv -pbc nojump" to remove the jump when the protein is separate in the box after simulation and I want to calculate the rmsd of the protein? What is difference of use of pbc in mdp file and in "trjconv -pbc nojump"?
Thank you!! Tang Jiaowei _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
