[gmx-users] change potential funtions

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Tue Feb 10 18:21:01 CET 2004

Thank Erik!

> Is T a constant temperature (i.e. given in the input file), or the
> actual temperature in the run?
> If it does not change in the run, the easiest solution by far is to
> change the input parameters in the force field.

yes, it is a given parameter. However, I would like to change the
potential function because in the next step I have to do V_modify = f(V_real) where
f is a nonlinear funcion of V_real.


> Cheers,
> Erik
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