[gmx-users] a bit more about MW4

Outi Maija Salo osalo at messi.uku.fi
Wed Jan 8 12:10:27 CET 2003


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?

Thanks!

Outi Salo
University of Kuopio
Finland




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