[gmx-users] Re: change in structure after simulation

Justin A. Lemkul jalemkul at vt.edu
Fri Mar 18 04:59:17 CET 2011



bharat gupta wrote:
> Hi,
> 
> I did a simulation of 5ns ... after viewing the trajectory in VMD , some 
> loop regions seems to be stretched like a straight wire.. But when I 
> made a movie using trjconv and viewed in pymol.. the structure seems to 
> be fine.. So, shall I continue my analysis assuming the structure to be 
> fine ...
> 

http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions

-Justin

> -- 
> Bharat
> Ph.D. Candidate
> Room No. : 7202A, 2nd Floor
> Biomolecular Engineering Laboratory
> Division of Chemical Engineering and Polymer Science
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> South Korea
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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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