[gmx-users] simulated annealing for Anton

[Anton Feenstra]

> Weihua Li wrote:
> 
[...]
>  Thank Anton for your answer.
> 
> In my case (from 500k to 100k), the zero_temp_time parameter is necessary?
> If i don't use it , the grompp seems not to work.
> 
> So, what is the meaning of zero_temp_time parameter in  my case since the
> system does not cooled down to zero ?
> 
> And is the ref_t set to 100K?
> 
> Looking forward to your reply. Thank you very much.


This is explained in the mdp options page (online manual), and in 
the FAQ.


-- 
Groetjes,

Anton
 _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "You Can Always Go On Ricky Lake" (Offspring)         |
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