[gmx-users] Tabulated potential, derivative errors and interpolation
devicerandom at gmail.com
Thu Jan 7 21:00:59 CET 2010
Update: It seems that, fixing the attractive values, the repulsive
values are well-behaved as well and the large errors disappear.
Sorry for bothering you! I was fixated on the repulsion and I didn't
notice the blunder on the attraction...
However it would be nice to know, just for the record, why errors in the
attraction lead to the weird oscillations in the repulsion...
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