[gmx-users] about the option pull_dim

[Justin A. Lemkul]

DeChang Li wrote:
> Dear all,
> 
>  Does the following three options do the same things in the pull code of 
> Gromacs 4.0:
> 

No, but without further context, it's hard to tell you what each set is doing. 
Most notably, the choice of *either* pull_dim or pull_vec1 will be motivated by 
the pull_geometry setting, but both pull_dim and pull_vec1 are not 
simultaneously used.

-Justin

> 1.  pull_dim = Y Y Y
>  pull_vec1 = 1 0 0
> 
> **************************
> 2.  pull_dim = Y N N
>  pull_vec1 = 1 0 0
> 
> **************************
> 3.  pull_dim = Y N N
>  pull_vec1 = 1 0.5 0.5
> 

-- 
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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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