Uhmm, you remove particles, modify molecule types, and wonder whether there is continuity in the trajectories?
Ah well, let's say you were to do a simulation and at some point t you suddenly have some hydrogen atoms that have lost all interaction with the system, and on top of that have the nature and charge of some other atoms changed. In principle, you could say the trajectory (position/momenta) is still continuous in that point. Cheers, Tsjerk On Thu, Jul 5, 2012 at 2:53 PM, SatyaK <mail2mvsku...@yahoo.com> wrote: > > Hello Tsjerk, > > I was wondering, once we order the water molecules and place Oh radicals in > the system, do we loose the continuity of their trajectories when we run > the simulations using Lammps? > > With Regards, > Satya. > > -- > View this message in context: > http://gromacs.5086.n6.nabble.com/DNA-simulations-tp4998988p4999100.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Only plain text messages are allowed! > * 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 gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists