[Chimera-users] Parallel run

Konrad Hinsen research at khinsen.fastmail.net
Fri Sep 10 01:26:15 PDT 2010

On 9 Sep 2010, at 16:51, r charbel maroun wrote:

> Is there any way to run Chimera functions such as energy  
> minimization in multiple processor machines ?

I can only answer for energy minimization, as this functionality is  
provided by MMTK. MMTK can use multiple threads for energy evaluation,  
which is what takes most of the time in minimization. You can define  
the number of threads to be used via the environment variable  
MMTK_ENERGY_THREADS. How exactly you would set this variable depends  
on your platform and personal configuration.

Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: research at  khinsen dot fastmail dot net

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