You can *remove* waters with parmed.py, but not add them.
To add water molecules, you will have to use tleap to recreate a new
topology file.
HTH,
Jason
On Wed, Aug 29, 2012 at 12:10 AM, Liu Denis <cndenis.gmail.com> wrote:
> Hi，
> Use parmed.py in Ambertool.
>
> Denis
>
> 2012/8/29 Adam Jion <adamjion.yahoo.com>:
> > Hi all,
> >
> > Is there a method that will allow me to add water molecules (or other
> solute molecules) into a pre-existing topology (.prmtop) and coordinate
> file (.rst)?
> >
> > Regards,
> > Adam
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>
>
>
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Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Aug 28 2012 - 21:30:04 PDT
