VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Jul 09 2013 - 13:40:47 CDT
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Hi,
The discussion of the old version was just to ensure that the
user tried and repeated the issue with the new version before we
invested time chasing any bug that may have already been fixed.
>From your email below, it's not clear if you're getting an error message
or not. Are you getting an error message or not? Please show us the
exact command you ran and the output it gave you.
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Sat, Jun 29, 2013 at 06:23:03PM +0530, Revthi Sanker wrote:
> 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
> _________________________________
-- NIH Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/
- Next message: John Stone: "Re: VMD 1.9.1 namdenergy plugin problem with GPU acceleration"
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