Hi gmx-users !! How does the gromacs unfolds the coordinates of the atoms when the simulation is run using -pbc xyz ?
If a particle in subsequent time crosses the boundary say x / y or both axis , then the box x/y or both vector(s) is added to obtain a folded trajectory. While unfolding, an atom, there are two or more image points, which one to choose. I think minimum image condition can handle this, but do not know how. Can some of help me out. Chandan -- Chandan kumar Choudhury NCL, Pune INDIA
-- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
