[gmx-users] PBC removing why?

[Anton Feenstra]

JAVIER SACRISTAN wrote:

> Hi Gromacs people,
>  
> I'm working to perform molecular dynamics simulations of 27 polymer chains in
> PBC and I have 
> found some problems.
>  
> After preliminary minimization and equilibration of one chain under PBC and NPT
> by means of  trjconv I have extracted the coordinates for my polymer chain ( I
> am interested in some specific conformation=specific frame on the trajectory
> file).
>  
> Then with genconf -f  trajout.gro -nbox 3 3 3 -dist 1 -rot -o peo27.gro  I have
> built a cell with 27  chains.
> 
>  
> 
> Finally with 
> 
> grompp -f peo25.mdp -p peo25.top -c tpeo25.gro -o peo25.tpr I have generated 
> tpr file.
> 
>  
> 
> But unfortunately when I run the simulation I have got this message on the log
> file:
> 
>  
> 
> Removing PBC first time.

Not an error.

-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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