[gmx-users] how to deal with protein rotation

Anton Feenstra feenstra at chem.vu.nl
Tue May 20 13:25:01 CEST 2003


Tsjerk Wassenaar wrote:
> Hi Jinzhi Tan,
> 
> This was covered just a few days ago, the solution is using a rotational
> constraint.., check the archive...

IIRC, this was not yet in Gromacs 3.1.3, so you may need to upgrade first.


-- 
Groetjes,

Anton
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|  _   _  ___,| K. Anton Feenstra                                     |
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