Re: Possible bug or inconvenience

From: Chris Harrison (charris5_at_gmail.com)
Date: Wed Feb 15 2012 - 15:12:03 CST

Thanks for the heads-up Norman.

Best,
Chris

On Wed, Feb 15, 2012 at 4:06 AM, Norman Geist
<norman.geist_at_uni-greifswald.de> wrote:
> Hi Guys,
>
>
>
> I just want to tell you that it is unfortunately possible to set switchdist
> equal to cutoff which leads to VDW energy (-)infinite without an error or
> warning. Sometimes itís hard to find such errors and it could be easily
> excepted. Surely itís just a write error in an if clause (< / <=) and was
> already planned to be caught. This could be changed maybe.
>
>
>
> Thanks in advance.

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

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