[gmx-users] Minimisation restraints

[Justin A. Lemkul]

Carla Jamous wrote:
> Hi everyone,
> 
> please I don't have access to the mailing list, (there must be a problem 
> in the archive) and I need to know if there's a way of doing energy 
> minimisation with restraints on the backbone. In other words, I want to 
> minimize the sidechaines in my protein without moving (or minimizing) 
> the backbone. Please has anyone done this before?
> 

Use genrestr to create a custom position restraint .itp file.

-Justin

> Thank you.
> 
> Carla
> 

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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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