VMD-L Mailing List

From: Revthi Sanker (revthi.sanker1990_at_gmail.com)
Date: Sat Jun 29 2013 - 07:53:03 CDT

Dear all,
With reference to the thread in the vmd mail list about the auto-ionize
program:
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/16117.html

  the reply given was that the error was due to usage of an older version
of auto-ionize, but I am using vmd version 1.9.1 still my system has net
charge of 4.9xxxxxxxe^-6 even after the neutralization. I do not know if
that is the reason why my system is not converging to minima. And how do I
make the system charge to be zero? I am a beginner to performing
simulations and to vmd. kindly provide your valuable suggestions in this
issue.
thank you in advance.

Revathi.S
M.S. Research Scholar
Indian Institute Of Technology, Madras
India
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