[gmx-users] COM restraint similar to distance restraints

[Erik Marklund]

It is, and I think there was in fact some experimental/private branch that dabbled with this. It hasn't gone into the official releases yet and there is no guarantee that it will.

Erik

On 4 Apr 2013, at 14:10, nahren manuel <meetnahren at yahoo.com> wrote:

> Sorry to bother you all once again. As there were no replies, I assume it is not possible to implement COM distance restraints in a way similar to distance restrains.
> 
> nahren
> 
> 
> ________________________________
> From: nahren manuel <meetnahren at yahoo.com>
> To: gromacs gromacs <gmx-users at gromacs.org> 
> Sent: Monday, April 1, 2013 9:56 PM
> Subject: [gmx-users] COM restraint similar to distance restraints
> 
> Dear Gromacs Users,
> 
> I was wondering if there is a way to implement the COM distance restraints (which I presently apply using pull, and setting pull-rate =0.0) in way similar to distance restraints defining the lower up1 up2 (i.e harmonic restraint with a flat well). Any suggestion will be appreciated.
> 
> Sincerely,
> nahren
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