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

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Feb 18 16:52:17 CET 2010

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?



Tsjerk A. Wassenaar, Ph.D.

Computational Chemist
Medicinal Chemist

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