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

[Dawid das]

Well, the *itp file says:

#ifdef FLEXIBLE

and there is bunch of lines defining proper parameters, so I assumed this
is it.

2015-08-10 6:26 GMT+01:00 Mark Abraham <mark.j.abraham at gmail.com>:

> 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.
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>