[gmx-users] Constraints of distance

[Dr. Vitaly Chaban]

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
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>