[gmx-users] simulation box and CNT

Justin A. Lemkul jalemkul at vt.edu
Sun Jan 24 22:11:29 CET 2010

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:




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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