Why does the solvatebox command result in an initial density
of ~0.74 g/cc?
Superimposing a box of water on te solute & box leads to
vdw voids since packing is not achieved.
If I want about 10 A of clearance on all sides of my solute, is
the only way to correct this situation to initially solvate with 12.5 A
clearance?
Yes.
Bill Ross
Received on Mon Dec 18 2000 - 09:23:04 PST
