[gmx-users] Longer scale simulations

[Anton Feenstra]

David van der Spoel wrote:

> On Wed, 2003-12-10 at 14:18, Tsjerk Wassenaar wrote:
> 
>>Hi,
>>
>>Depending on the geometry of your system and the flexibility, it can be 
>>worth performing the simulation in a molecular shaped box. This may save 
>>you 50% on computational time. If you like you can contact me off the list.
>>
>>You will need a modified version of Gromacs though. I hope these 
>>roto-translational constraints make in i
> 
> can you be more specific on this stuff? (maybe off the list too). 

I'd still like to be included in the explanations/discussions.
Perhaps something for the developers list?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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