[gmx-users] Fatal error: 2 atoms are not part of any of the T-Coupling groups during md simulation.

[Justin A. Lemkul]

Chitrita Dutta Roy wrote:

> -------------------------------------------------------
> Program grompp, VERSION 4.0.2
> Source code file: readir.c, line: 1050
> 
> Fatal error:
> 2 atoms are not part of any of the T-Coupling groups
> -------------------------------------------------------
>  
> Even the .top file was also modified to include extra Na+.

This has nothing to do with the .top, and everything to do with what you have 
specified in your tc-grps.  You're missing something, so check carefully!

-Justin

> 
> 
> Please help to get a solution.
> 
> 
> Chitrita..
> 
> 
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-- 
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Justin A. Lemkul
Graduate Research Assistant
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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