[gmx-users] f(x) g(x) h(x)in the user defined potential functions

He, Yang yang.he at mavs.uta.edu
Fri Oct 24 01:50:00 CEST 2008

Hi all users,

When I am defining the user potential functions using the table, I encountered a problem that there are several unstable parameters  in the separate f(x),g(x),h(x) .For example, in the g(x), there is a parameter "epsilon" whose value will depend on different pairs.In this situation, I can not get a specific value in the table file . I don't know how to solve this problem.

Can anyone of you give me some suggestions about that?

Thank you in advance.


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