[gmx-users] Problem with Position Restraints (before running SMD)!

[Justin A. Lemkul]

Talal E. AlOtaibi wrote:
> Thank you Justin,
>  
> It works well with freezing option.
>  
> Last question, Can I freeze points before doing the energy minimization?
>  

You can't freeze before EM (because you aren't actually running anything), but 
during EM, yes.

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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