Dear gmx user, Hello, I complited calculation of KALP15 in DPPC. I would like to make further analysis such as generate structures of trajectory. I used following sequence of commands for gmx trjconv:
1. -pbc nojump 2. -pbc mol -ur compact 3. -pbc res (one case, ignored, but result is same) 4. -fit transxy In the result, there are some atoms of water very far from the system. How can I get right structure view? Please advice me? Is there any common used sequence of trjconv's command this type of situation? Best regards, Mije -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
