[gmx-users] Hessian matrix

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Tue Oct 11 19:17:20 CEST 2005



Hi Erik,

> > It's 10*sqrt(GMX_REAL_EPS), where GMX_REAL_EPS is the tolerance in
> > the current precision.
> >
> > Cheers,
> >
> > ERik
I meant that what is the value of GMX_REAL_EPS? How many nm?

Phuong




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