[gmx-users] how to deal with protein rotation

[Anton Feenstra]

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
 _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Room P275  Tel: +31 20 44 47608  Fax: +31 20 44 47610 |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "Do You Have a Mind of Your Own?" (Garbage)           |
|_____________|_______________________________________________________|