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

[Mark Abraham]

You've *tried* to use flexible water. But does your water itp file *have* a
flexible implementation that your approach will trigger?

Mark

On Sun, 9 Aug 2015 19:42 Dawid das <addiw7 at googlemail.com> wrote:

> 2015-08-09 18:27 GMT+01:00 Mark Abraham <mark.j.abraham at gmail.com>:
>
> >
> > Justin's advice is true only if your water topology has a flexible
> > implementation. Check it
>
>
>
> Yes, I do use flexible water and still this causes problem.
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