Re: [gmx-users] Re: LIE method with PME

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" < wmira...@fbio.uh.cu> wrote: > Thank you Mark > What do you think about making a rerun on the trajectori

Re: [gmx-users] Re: LIE method with PME

If the long-range component of your electrostatics model is not decomposable by group (which it isn't), then you can't use that with LIE. See the hundreds of past threads on this topic :-) Mark On Thu, Nov 7, 2013 at 8:34 PM, Williams Ernesto Miranda Delgado < wmira...@fbio.uh.cu> wrote: > Hell