Rongliang Wu wrote: > Hello, gmx-users， > > I report here that the center of mass calculated in g_traj, g_rdf, > g_clustsize etc does not take into account the pbc conditions, for example > the center of mass of cluster cutted by the box vector has position near the > box center while it should be close to the box boundary. > i wonder how to tackle this problem?
Please start by reporting what GROMACS version you were using. You will need to give more substantiation of your claim - a small example of the erroneous behaviour of g_traj should be easy for you to produce. Mark _______________________________________________ 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
