[gmx-users] interpolation for tabulated potential
lulanyuan at msn.com
Wed Oct 14 05:45:14 CEST 2009
I'm just wondering what interpolation method is used for the tabulated potential function in GMX. Since GMX 4, the input table contains potential and force, unlike potential and second derivative in GMX 3. Is cubic spline still used in GMX 4? If yes, what algorithm is implemented to get second derivative needed for cubic spline?
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