On 11/04/12, Chrisostomos Batistakis <tomyvanba...@gmail.com> wrote: > > Dear all > > I am looking in the manual but I don't understand... > > When using vdw-type =cut-off in the .mdp file, is the LJ potential only > truncated in the cut-off distance rc, or is it also shifted in order to > avoid discontinuity when rij=rc ? > > If no, how can I have a shifted and truncated LJ potential? >
Please check out the manual. Sections 4.1 and 7.3.11 come to mind. Mark
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