Re: [gmx-users] some confusion about cut-off radius in parameters

2018-06-13 Thread Mark Abraham
Hi, These refer to the twin-range cutoff scheme, which was removed several years ago. Please do everybody a favour and don't start new work from such ancient versions. The code and its documentation have been vastly improved since then. Mark On Wed, Jun 13, 2018 at 10:35 AM 张明敏 wrote: > >

[gmx-users] some confusion about cut-off radius in parameters

2018-06-13 Thread 张明敏
Dear all; When I set the simulation parameters, I found that there are many settings about the cut-off radius in mdp file. After looking at manual in detail, I still have several questions: 1,In the manual 4.5.5(p18 3.4.2, pair lists generation), there are concepts of "rshort" and