converge problem

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sllmnls
Posts: 4
Joined: Mon Oct 24, 2011 4:28 am

converge problem

Post by sllmnls » Thu Mar 15, 2012 4:14 am

I want to calculate the electrostatic energy of 1JTG (pdb ID) using delphi software, however, when the ion concentration is above 0.23 M, it does not converge after 8000 iterations. The maxc is set as 0.0001. why does it converge when the ion concentration is lower (below 0.22 M)? I have tried 0.138 M and 0.193 M, it does converge without changing the convergence criteria.

lli5
Posts: 38
Joined: Thu Sep 22, 2011 8:44 am

Re: converge problem

Post by lli5 » Wed Apr 18, 2012 12:53 pm

Hi sllmnls,
Please make sure the pdb has been protonated. And the force field you used for protonation and DelPhi calculation should be the same. If it still doesn't converge, please let me know. :)

For DelPhi development team,
Lin

annieoroberts
Posts: 1
Joined: Fri Mar 25, 2016 2:07 am

Re: converge problem

Post by annieoroberts » Fri Mar 25, 2016 2:13 am

In the analytic theory of continued fractions, the convergence problem is the determination of conditions on the partial numerators ai and partial denominators bi that are sufficient to guarantee the convergence of the continued fraction

henry_centeno
Posts: 2
Joined: Tue Jun 20, 2017 2:57 pm

Re: converge problem

Post by henry_centeno » Thu Sep 21, 2017 5:23 pm

I was convinced once again that people have so many opinions. But I'm glad that I've read your post and looked at the situation from another side.
yes, I can not say that I agree with everything that you wrote, but this is your opinion and it's great! ;)

Tinaosbor
Posts: 1
Joined: Mon Sep 25, 2017 1:20 am

Re: converge problem

Post by Tinaosbor » Mon Sep 25, 2017 1:20 am

the convergence problem is the determination of conditions on the partial numerators ai and partial denominators bi that are sufficient to guarantee the convergence of the continued fraction

alessiomarkz
Posts: 1
Joined: Mon Mar 26, 2018 7:30 am

Re: converge problem

Post by alessiomarkz » Mon Mar 26, 2018 7:41 am

bi that are sufficient to guarantee the convergence of the continued fraction

moscow
Posts: 2
Joined: Thu Apr 05, 2018 8:17 am

converge problem

Post by moscow » Thu Apr 12, 2018 5:21 pm

Do you have a problem statement? Can you state what you expect to happen and what actually happens?

derevoSi
Posts: 5
Joined: Fri Apr 06, 2018 6:33 pm

converge problem

Post by derevoSi » Fri Apr 13, 2018 2:32 am

What should I do to solve this problem? Can you write this example properly?

midosameer
Posts: 1
Joined: Thu Apr 19, 2018 12:15 pm
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Re: converge problem

Post by midosameer » Thu Apr 19, 2018 12:21 pm

I can not say that I agree with everything that you wrote, but this is your opinion and it's great!
I'm mohamed sameerK I .love to be here .

bazarhomecleaning
Posts: 1
Joined: Wed Sep 12, 2018 12:22 pm
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Re: converge problem

Post by bazarhomecleaning » Wed Sep 12, 2018 12:32 pm

thanks for great article.

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