Dear Gromacs users! In some discussions I've noticed that people told about usage of virtual sites which allow to increase time step of the simulation of such systems. >From manual and tutorial its not quite understand for me how with inclusion of such dummy atoms (which can be used to reduce number of atoms of the some solvent-like molecule or to mimic electron pairs in the water for instance) influence on time-step can be achieved ?
James -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists