From: Jian Liu (bay__gulf618_at_sina.com)
Date: Mon Aug 16 2010 - 23:53:56 CDT
Dear Sara
There is no forcefiled for SWNT in traditional CharmmFF
In my practice, the properties of SWNT is sensitive to its FF parameters
so it is very different to design SWNT's parameters.
This file's format can be refer the "par_nanotubes.inp" of nanotube-tutorial
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Jian Liu
Master-degree Graduate Candidate Majoring in Molecular Modelling
Outstanding Students and PhD. Wanted, CV: http://is.gd/ducip
----- Original Message -----
From: sara <sara_15_s_at_yahoo.com>
To: namd <namd-l_at_ks.uiuc.edu>
Subject: namd-l: parameter file for carbon nanotube
Date: 2010-8-16 23:34:53
Hi All
I want to simulate carbon nanotubes. I made "_wb.psf" file of it. but I don't know what parameter file I should select for it?
please guid me!!
Sara
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