[gmx-users] None constraints and l-bfgs.

Dawid das addiw7 at googlemail.com
Wed Jul 29 14:32:38 CEST 2015

2015-07-29 12:36 GMT+01:00 Justin Lemkul <jalemkul at vt.edu>:

> To turn that off you would need "define = -DFLEXIBLE" but you should
> subsequently re-minimize with constraints to avoid weird geometries.

I forgot about it. Thank you!

Dawid Grabarek

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