[gmx-users] Constraints of distance

[Steven Neumann]

I was not sure about the fucntion type (1 or 2). Once in manual it is
stated that function 1 is only for exclusions and another time it can be
used to miimc bonds. Both functions are working though.  Thanks anyway.

Steven


On Tue, Jun 11, 2013 at 2:18 PM, Dr. Vitaly Chaban <vvchaban at gmail.com>wrote:

> I think all is correct.
>
> Why are you asking? People normally report problems.
>
> Dr. Vitaly Chaban
>
>
>
>
>
>
> On Tue, Jun 11, 2013 at 12:30 PM, Steven Neumann <s.neumann08 at gmail.com
> >wrote:
>
> > Dear Gmx Users,
> >
> > I am running CG simulation and I wish my beads to be constraint - one
> away
> > from each other of 0.4 nm. I wan to use Lincs for this purpose. I do not
> > have any bonds in my topology or rtp entry. I just add:
> >
> > [ constraints ]
> > 1     2      1      0.4
> > 2     3      1      0.4
> > ...
> > 31   32     1      0.4
> >
> > constraints = none
> > constraint_algorithm     = Lincs
> >
> >
> > Is that correct? I used function 1, is that right?
> >
> > Shall I specify something else?
> >
> >
> > Steven
> > --
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