Hi, That depends on what model you want to implement - rlist sets the radius within which particles/groups will be placed in the neighbour list. There's further requirements based on the other elements of the simulation with which it has to interact, so for user tables, the group scheme is needed, which means you won't have both an efficient simulation and a buffered list.
If you're still trying to implement hard spheres with GROMACS, then as (I think) I've said before, you should consider alternative software (not that I have any insight about what might work better). Mark On Mon, Jan 15, 2018 at 11:26 AM Faezeh Pousaneh <fpoosa...@gmail.com> wrote: > Hi, > > I have a user-potential for vdw and coulomb (PME-user). I use vdW and > columnb cutoffs= 0.3 and 0.5 respectively. What should be the value of > rlist? > > sorry, I could not find in manual. > > Best regards > -- > 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. > -- 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.
