Re: non integer total charge

From: Chris Harrison (charris5_at_gmail.com)
Date: Sat Apr 28 2012 - 21:23:42 CDT

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This is somewhat high. Try to reduce it to at least 10^-3 significant
figures if possible, more is even more preferable.

Best,
Chris

On Sat, Apr 28, 2012 at 9:16 PM, raghav singh <raghavbioinfo_at_gmail.com> wrote:
> Hi all,
>
> I just wanna know that non integer charges on -0.3 on a nucleic acid based
> system ...
> are acceptable or I just have to mess around topology files.. ???
>
> Thanks
> Raghav

-- 
Chris Harrison, Ph.D.
NIH Center for Macromolecular Modeling and Bioinformatics
Theoretical and Computational Biophysics Group
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
http://www.ks.uiuc.edu/Research/namd       Voice: 773-570-6078
http://www.ks.uiuc.edu/~char                          Fax: 217-244-6078

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