[gmx-users] Sum of the two largest charge groups radii is larger than rlist!!!

Arman M. Soufiani armansoufiani at gmail.com
Thu Oct 18 11:26:38 CEST 2012


Dear Friends,

I am simulating a protein-polymer interactive system.
I faced two problems. 
First, when I added the ions to my solvated system, the polymer structure
shifted a little bit out of the PBC box. I really have no idea why this
happened!
I ignored this issue and proceed to EM, which I don't know if the problem
mentioned above will make me into trouble or not.
Anyhow, I tried to compose the .tpr file. However, the following error
appeared:

*The sum of the two largest charge group radii (6.907749) is larger than
rlist (1.000000)*
 
I would be thankful if anyone can help me with these issues.

Best Regards

Arman



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