Changes between Version 15 and Version 16 of StartersTutorial

Timestamp:

Apr 27, 2011, 1:59:46 PM (14 years ago)

Author:

FrederikHeber

Comment:

-p is now -l for loading a molecule

StartersTutorial

@@ -89 +89 @@
 Adding atoms singly is now very tedious. Often one already has an xyz description of the molecule. Let's parse in another water molecule from the file [attachment:water.xyz].
 {{{
-./src/molecuilder -i test.conf -o xyz -p water.xyz
+./src/molecuilder -i test.conf -o xyz -l water.xyz
 }}}
 
 If we would like to place it right-away somewhere else, we would use this call:
 {{{
-./src/molecuilder -i test.conf -o xyz -p water.xyz --select-molecules-atoms 1 -t "15, 15, 15" --periodic 1
+./src/molecuilder -i test.conf -o xyz -l water.xyz --select-molecules-atoms 1 -t "15, 15, 15" --periodic 1
 }}}
 which would translate the newly parsed-in molecule, getting index 1, by (15,15,15), adhering to periodic boundary conditions.