[gmx-users] structure files of water and CNT

Justin A. Lemkul jalemkul at vt.edu
Wed Apr 16 21:04:00 CEST 2008

Quoting Hero <cjt0610 at yahoo.com>:

> Hello, I am a new user of Gromacs and want to simulate water
> transport through Carbon nanotubes.
> Where can I find structure files of water and CNT?

I believe there is an online server for generating CNT structures; check the
list archives thoroughly and you will find it.  Water is in $GMXLIB/top.


> Thank you so much!
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


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