Changes between Version 6 and Version 7 of StartersTutorial

Timestamp:

Jul 7, 2010, 1:34:35 PM (14 years ago)

Author:

FrederikHeber

Comment:

removed depth first search analysis

StartersTutorial

@@ -81 +81 @@
 If we parse in the config files again, we will not have two separate molecules, addressable by indices 0 and 1, but a single one. This is bad. Let's do a graph analysis of the system
 {{{
-./src/molecuilder -i test.conf -v 3 -D 2.
+./src/molecuilder -i test.conf -I
 }}}
 
 Note that we have specified here a verbosity level (''-v'') of 3 such that one sees a bit of what's going on.
-Somewhere along the output, you will notice ''Disconnected subgraph ranges from ...''' appear twice. These are two water molecules that have been recognized as separated.
-
-Now lets fix it by
-{{{
-./src/molecuilder -i test.conf -I
-}}}
+Somewhere along the output, you will notice ''Disconnected subgraph ranges from ...'' appears twice. These are two water molecules that have been recognized as separated.
 
 == Tesselate the second molecule ==