[gmx-users] structure files of water and CNT

2008-04-16 Thread Hero
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?

Thank you so much!


  

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Re: [gmx-users] structure files of water and CNT

2008-04-16 Thread Justin A. Lemkul
Quoting Hero [EMAIL PROTECTED]:

 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.

-Justin


 Thank you so much!





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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
[EMAIL PROTECTED] | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/


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Re: [gmx-users] structure files of water and CNT

2008-04-16 Thread Stiles, Christopher Dale

quote who=Hero
 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?

Last summer I put a walk though with the basics for this. It can be found at:
http://cs86.com/CNSE/SWNT.htm
Although please note that this was not put together for the most current
version so some of the files my have changed... So consult the most
current version of the GROMACS manual.

Hope this helps!
~Chris


 Thank you so much!


   
 
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Christopher Dale Stiles
Cell: 315-247-8620
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