[gmx-users] Help with Segmentation fault!!!

[Tsjerk Wassenaar]

Hi Deisy,

> define                   = -DFLEXIBLE
> integrator               = md

Well, probably you'd be better off with 'integrator = steep'. If
you're doing MD, better not define -DFLEXIBLE. But for the rest, you
give little account of what you're doing. What about the workflow,
where in your scheme are we? What are you trying to do? How about some
tutorial material?

Cheers,

Tsjerk

--
Tsjerk A. Wassenaar, Ph.D.

Computational Chemist
Medicinal Chemist
Neuropharmacologist