Re: [gmx-users] simulation box and CNT

2010-01-24 Thread 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 .

[gmx-users] simulation box and CNT

2010-01-24 Thread neo lotus
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 -- gmx-users m