Simulated Annealing

[Gopakumar]

Hello,

   I would like to perform a simulated annealing for my system... Can turbomole perform it?

if yes, is there any tutorial, or 'example input files for some simple molecule'... so that I can test and learn how to perform it...

any help is much appreciated...

-gopan

[uwe]

Hi,

this is described in the Turbomole tutorial:

http://www.cosmologic.de/QuantumChemistry/tb-documentation.html

Chapter 7.5, page 41/42.

The tutorial that has been shipped with Turbomole 5.9 contains a wrong annealing factor, please download the latest version from the web site given above.

Regards,

Uwe

[Gopakumar]

thank you very much... it is very useful....