[gmx-users] Using tables to construct a z-dependent 12-3 potential

Olivia Waring owaring at princeton.edu
Sat Nov 26 15:58:33 CET 2011

Hello all,

I'm wondering if it's possible to use tables to simulate a z-dependent 12-3
potential. I'd have the following function:

V(z) = C12/(z-z0)^12 - C3/(z-z0)^3

and I'm trying to construct a table to match. Any hints to get me started
would be greatly appreciated.

Thank you!

Olivia Waring
Princeton University '12
AB Chemistry
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