[gmx-users] inter molecular distance restraints?

[David Mobley]

Syma,

The answer is yes. However, they have to be part of the same molecule
"description". That is, they have to be listed in the same [ atoms ]
section and so on. You neeed GROMACS to consider them to be part of
the same "molecule", which it can do without having bonds between
them.

David

On 4/11/06, syma <syma.khalid at bioch.ox.ac.uk> wrote:
> Hi,
>
> I was just wondering if is possible, in gromacs to apply distance restraints
> between molecules. So I have two ligands (part of the same complex) that I
> would like to keep together, even though they are not actually bonded
> together.
>
>
> Thanks in advance,
>
> -Syma
>
> ***************************************************
>
> Dr Syma Khalid
> Department of Biochemistry,
> University of Oxford
> South Parks Road,
> Oxford
> OX1 3QU
> U.K.
>
>
>
> ***************************************************
>
>
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> 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/mailing_lists/users.php
>