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

[Dawid das]

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