[gmx-users] frozen group, pull code and COM motion removal

[David van der Spoel]

钩深致远 wrote:
> Hi all,
> 
> Recently, I performed a simulation which have three groups: frozen group 
> (there's no connections with the other groups), free group (peptide), 
> mobile group (using AFM pulling of the pull code) . How should I set the 
> comm._mode and comm _grps in the mdp file?
> 
more info please.
>  Thanks,
>  Xiu Peng.
>  
> 
> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se