Re: [gmx-users] run parameters

Thank You Sir for your answer. On Fri, Feb 10, 2017 at 5:50 PM, Erik Marklund wrote: > 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

Re: [gmx-users] run parameters

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

[gmx-users] run parameters

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