Re: [gmx-users] tabulated potential - why table length is rc+1nm

2007-10-12 Thread Erik Lindahl
Hi, On Oct 12, 2007, at 7:54 PM, Nickle Fan wrote: Dear gmx-users: I am working on incorporating a customized non-bonded interaction into my simulation. I am trying to implementing it through the tabulated interaction potential. The manual says that the potential should be tabulated up t

[gmx-users] tabulated potential - why table length is rc+1nm

2007-10-12 Thread Nickle Fan
Dear gmx-users: I am working on incorporating a customized non-bonded interaction into my simulation. I am trying to implementing it through the tabulated interaction potential. The manual says that the potential should be tabulated up to rc+1.0 nm (rc is r_vdw or r_columb). Why is this necessary