I'd at least use RF! Use a cut-off consistent with the force field parameterization. And hope the LIE correlates with reality!
Mark On Nov 7, 2013 10:39 PM, "Williams Ernesto Miranda Delgado" < [email protected]> wrote: > Thank you Mark > What do you think about making a rerun on the trajectories generated > previously with PME but this time using coulombtype: cut-off? Could you > suggest a cut off value? > Thanks again > Williams > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
