[gmx-users] pull direction of steered MD in Gromacs

[Justin A. Lemkul]

Tom wrote:
> Dear Gromacs Users,
> 
> Can you assign any pulling direction in Gromacs rather than only using 
> the axial x/y/z direction?
> 
> pull_dim        = N N Y
> 
> Can we assign sth. like a vector in gromacs?
> 

Yes, see the pull_vec option and other related topics in the pulling tutorial:

http://www.gromacs.org/Documentation/Tutorials?highlight=tutorials#Pull_Code_and_Umbrella_Sampling

-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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