[gmx-developers] roto-translational constraints

[Tsjerk Wassenaar]

Hi Anton,

I implemented them in version 4.5.1 and 4.5.3, using a new PBC robust
rederivation, but haven't released that yet. I can send you the patch
if you want.

Cheers,

Tsjerk

On Wed, Jan 4, 2012 at 12:08 PM, Anton Feenstra <feenstra at few.vu.nl> wrote:
> Hi!
>
> I just came across a 2009 message from Tsjerk Wassenaar where he says he
> didn't yet implement roto-translational constraints in the (then) current
> gromacs version. Can anyone tell me what the status of that is now?
>
> We'd want to use these constraints in the sampling of a PMF between two
> interacting proteins.
>
> --
> Groetjes,
>
> Anton
>  _____________ _______________________________________________________
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> |  _   _  ___,| K. Anton Feenstra                                     |
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-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands