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

Justin A. Lemkul jalemkul at vt.edu
Fri Jul 6 15:58:32 CEST 2012

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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