[gmx-users] a bit more about MW4

[Anton Feenstra]

David wrote:
> 
> On Wed, 2003-01-08 at 12:10, Outi Maija Salo wrote:
> > Hi!
> > One more question about this MW4 of tip4p water...
> > Is it ok that the Van der Waals radius of atom SOL MW4 is set to 0.105
> > as the genbox informs...it is the same radius as with oxygen atom...
> > Should the radius be 0? Should it be added to the vdwradii.dat?
> >
> You seem to have guessed all right. mdrun will report the right density
> and even if the radius of MW should really be zero it is quite close to
> the oxygen and therefore it's not a big problem.

The radii in vdwradii.dat are only used by genbox (and ngmx, I think).
defenitely *not* by mdrun.

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
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