Dear Gromacs Users,
I would like to describe the situation. An initial molecule in the periodic boundary condition is located near the right side of box. The box is big, thus needs to be adjusted and equilibrated under NPT. The box should be shrinked after few ns seconds. The molecule near the right side of box during the simulation is moving to the right and some of atoms of the molecule would appearing the left side of box. In this configuration, the molecule looks separated but actually connected because of PBC. However, I want the molecule as an initial continuous single molecule in the* "adjusted equilibrated box" *for the next run. Yes, it is the equilibrated shrinked box. Can this be solved by "trjconv" or something else? Thank you. Best regards, Changwoon Jang -- 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.
