Re: fixed atoms

From: wzhuang_at_uci.edu
Date: Wed Oct 26 2005 - 11:12:25 CDT

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did you check whether you labelled the right column? did the output file
say that you have correct labelling?

>
> Hello,
>
> In my simulation, I fixed some atoms. Later, I checked the dcd file and
> found that the atoms I fixed could move. I suppose that the fixed atoms
> will be still.
>
> In my cinfig file, I included
>
> fixedAtoms on
> fixedAtomsFile myfile.ref
> fixedAtomsCol B
>
> Do you know what's wrong with it?
>
> Thank you!
>
>
> Yong
>

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