[gmx-users] Distance restraints

Mark Abraham mark.j.abraham at gmail.com
Tue May 21 17:11:46 CEST 2013

You can't - the atoms must be part of the same [moleculetype]. The good
news is that a [moleculetype] can have whatever you want in it, so you can
have more than one molecule. The bad news is that you'll have to be cunning
with renumbering atoms in the merged [moleculetype] and there's no tools
that do that. (Or maybe there's a smart-alec trick using the pull code, but
I have no idea what.)


On Tue, May 21, 2013 at 4:20 PM, Rama <ramkishna72 at gmail.com> wrote:

> Dear Gromacs users,
> How to define distance restraints between two molecules(protein and a
> lipid)
> in a topology file.
> Thanks..
> --
> View this message in context:
> http://gromacs.5086.x6.nabble.com/Distance-restraints-tp5008421.html
> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
> --
> 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

More information about the gromacs.org_gmx-users mailing list