[gmx-users] Re: specifying the direction of Pull in US

[Justin A. Lemkul]

On 7/6/12 9:52 AM, Raj wrote:
> hi ,
>
> When i applied distance I cant have control over the direction of the pull.
> The ligand is not exactly pulled along the direction i meant to pull
>

You can specify the pull vector using the difference between the COM positions 
of the pull group and its reference.  Set those (x,y,z) values to pull_vec1.

-Justin

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Justin A. Lemkul, Ph.D.
Research Scientist
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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