Dear All,
The solvateCap command in LEap program is to add more water molecules into
the system which will be cap molecules. But I have some water molecules
already existing in my PDB file. I want these existing waters to be cap
molecules but don't want any added molecules. Is it possible? How to set
the existing waters to be the cap molecules?
Thanks!
Junjun
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Received on Mon Feb 06 2012 - 06:30:02 PST
