[gmx-developers] roto-translational constraints

Anton Feenstra feenstra at few.vu.nl
Wed Jan 4 12:08:43 CET 2012


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
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | IBIVU/Bioinformatics - Free University  Amsterdam     |
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|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
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