[gmx-users] freeze water

[Anthony Cruz]

On Friday 28 April 2006 12:02 pm, David van der Spoel wrote:
> Anthony Cruz wrote:
> > Hi:
> > I want to make a simulation of a small pepetide in a box of water but I
> > want to freeze or restrain the movement of all water molecules that have
> > a distance grater that 3 A from the protein surface.  Right know the
> > water that are within 3 A of the protein, have a different residue name
> > (SHL) and the other water molecules have the normal resname (SOL)  How I
> > could do the restrain???
>
> use make_ndx to make an index file and freeze all SOL
>

I have the index but how I used to freeze all SOL??
> > Thanks.
> >
> > Anthony
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