[gmx-users] Re: atoms jumps from its native position in protein

Justin A. Lemkul jalemkul at vt.edu
Fri Oct 7 12:47:32 CEST 2011

Parthiban Marimuthu wrote:
> Hi
> i am trying to study protein-ligand interaction.
> at the end of the simulation, the visualization via- VMD shows, some of 
> the atoms suddenly jumped from its place to another space for a short 
> time and comes back to its position connected by huge lines. i dont have 
> any idea what is the real technical term to describe that.
> i am not sure where i am making mistake.
> could any one suggest this how to tackle this problem.




Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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