Re: [gmx-users] Inconsistent results between 3.3.3 and 4.6 with various set-up options

On Fri, Jul 5, 2013 at 11:31 AM, Cara Kreck wrote: > > > > Hi everyone, > > I have been doing some tests and benchmarks of Gromacs 4.6 on a GPU cluster > node (with and without GPU) with a 128 lipid bilayer (G53A6L FF) in explicit > solvent and comparing it to previous results from 3.3.3. Firstl

[gmx-users] Inconsistent results between 3.3.3 and 4.6 with various set-up options

Hi everyone, I have been doing some tests and benchmarks of Gromacs 4.6 on a GPU cluster node (with and without GPU) with a 128 lipid bilayer (G53A6L FF) in explicit solvent and comparing it to previous results from 3.3.3. Firstly I wanted to check if the reported reaction field issues of 4.