[gmx-users] couple several systems

Florian Haberl Florian.Haberl at chemie.uni-erlangen.de
Wed Jan 4 09:23:30 CET 2006


On Wednesday 04 January 2006 08:52, Rongliang Wu wrote:
> Hello gmx-users,
> 	since coupling just several atoms will cause significant fluctuations of
> temperature for those atoms, i'd like to couple NA with SOL together, will
> it be possible by modifying the mdp file? or should i make an index file?
> and how to make that?

use make_ndx

choose than your groups combine them to a new group and than add this new 
group name to your mdp file

> Thanks!
> Regards!
> Sincerely,
> Rongliang Wu
> State Key Laboratory
> of Polymer Physics and Chemistry
> Center of Molecular Science
> Institute of Chemistry
> Chinese Academy of Sciences
>           wurl04 at iccas.ac.cn
>           2006-01-04



 Florian Haberl                        
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Mailto: florian.haberl AT chemie.uni-erlangen.de

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