[gmx-users] simulation box and CNT

[Justin A. Lemkul]

neo lotus wrote:
> Hi,I want to simulate a finite  CNT and CNT is flexible .but during time 
> simulation of nanotube is outside the simulation box and again into the 
> box is return ,and finally , in the end simulation time,half of CNT 
> remains outside the box.please  guid me to solve this problem . thanks
> 

There is no problem.  See the following:

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

-Justin

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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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