[gmx-users] Error for 1-4 interaction

Anirban Ghosh anirbanz83 at yahoo.co.in
Sat May 30 12:36:52 CEST 2009


I am following Justin's tutorial to run a protein in POPC bilayer simulation. However while doing a NVT simulation (after EM) I am getting the following error:

"step 0Warning: 1-4 interaction between 817 and 822 at distance 3.275 which is larger than the 1-4 table size 2.200 nm"

I have tried the suggestions like increasing the table-extension, decreasing the time-step etc., but could not solve the problem. Can anyone suggest how to solve it? Any suggestion is welcome. Thanks in advance.


 Anirban GhoshGrade Based Engineer
Bioinformatics Team
Centre for Development of Advanced Computing (C-DAC)
Pune, India

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