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

Nickle Fan nicklefan at gmail.com
Fri Oct 12 19:54:46 CEST 2007

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

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? My impression is that for
distance larger than r_vdw/r_columb, the interaction is truncated and thus
set to zero.

Thanks for your attention.

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