Dear Nikhil, It depends, but generally no electrostatic cut-offs since there is no dielectric medium, making the effective range of electrostatics very long. And no pbc. If you are doing NVE with constraints you might want to increase lincs-iter and -order from their default values.
Kind regards, ______________________________ Erik Marklund, PhD Marie Skłodowska Curie INCA Fellow Department of Chemistry – BMC Uppsala Universtity erik.markl...@kemi.uu.se<mailto:erik.markl...@kemi.uu.se> On 10 Feb 2017, at 13:06, NIKHIL JOSHI <nikhil.joshi...@gmail.com<mailto:nikhil.joshi...@gmail.com>> wrote: hii What will be the best mdp file options for production run for polymer in vacuum simulation.? -- 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<mailto:gmx-users-requ...@gromacs.org>. -- 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.
