[gmx-users] Error for 1-4 interaction

[Justin A. Lemkul]

Anirban Ghosh wrote:
> 
> Hi ALL,
> 
> 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"
> 

http://wiki.gromacs.org/index.php/Errors#1-4_interaction_not_within_cut-off

> 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.
> 

Your starting structure is likely not yet appropriately minimized.

-Justin

> Regards,
> 
>  
> *Anirban Ghosh*
> *Grade Based Engineer
> Bioinformatics Team
> Centre for Development of Advanced Computing (C-DAC)
> Pune, India
> *
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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