Changes between Version 8 and Version 9 of StartersTutorial

Timestamp:

Jul 20, 2010, 2:29:33 PM (15 years ago)

Author:

FrederikHeber

Comment:

changing domain had a bug (z instead of x component) and BoxLength notice added

StartersTutorial

@@ -55 +55 @@
 }}}
 
-Note that we explicitely stated here to have periodic boundary conditions active. Hence, the coordinates get wrapped around, which is exactly what happened to the z component of one of the hydrogens. Note that if we parse in a config file, all atoms are automatically put into a single molecule, here referenced by its index 0.
+Note that we explicitely stated here to have periodic boundary conditions active. Hence, the coordinates get wrapped around, which is exactly what happened to the x component of all three atoms. Note that if we parse in a config file, all atoms are automatically put into a single molecule, here referenced by its index 0.
 
 A better approach for making sure all atoms are inside the domain is to use the center on edge and add empty boundary action:
@@ -62 +62 @@
 }}}
 
-This action will always produce a rectangular domain, i.e. the extension of the water molecule with an additional boundary of 5 angstroem in every direction. 
+This action will always produce a rectangular domain, i.e. the extension of the water molecule with an additional boundary of 5 angstroem in every direction. Notice that the !BoxLength entry has changed.
 
 == Parsing in another water molecule ==