Fwd: problem regarding charmm parameter file of carbon nano tube

From: kanchi subbarao rao (ksubbu85_at_gmail.com)
Date: Mon Nov 21 2011 - 05:07:50 CST

---------- Forwarded message ----------
From: kanchi subbarao rao <ksubbu85_at_gmail.com>
Date: Mon, Nov 21, 2011 at 4:13 AM
Subject: namd-l: problem regarding charmm parameter file of carbon nano tube
To: jordi_at_ks.uiuc.edu, fzhu_at_wag.caltech.edu
Cc: namd-l_at_ks.uiuc.edu

   hi ,
     I am doing graaphine and lipid bilayer simulation in namd by using
charmm force field.
    I used the parameter file .which is used in carbon nano tube
tutorial.But while in minimization I am getting non-bonding interaction
energy dominating (VDW and BOUND) ,it makes total energy positive.I found
no bad contact in my structure. could you suggest me the parameters of
carbon (cnt) which you changed in your parameter file in charmm force
filed.

regards
subbarao kachi

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