Hi everybody,
I'm dealing with a modified trajectory file (have stripped HOHs from the original file). I need to generate a new topology file for my complex.
I load my complex in tleap
> COMPLEX = my_complex.pdb
Then I try to set a unit box using the box dimensions taken from the modified trajectory file (last line).
I do a
> set COMPLEX box 67.602 60.679 66.072
and get
set: Improper number of arguments!
usage: set <container> <parameter> <object>
or: set default <parameter> <value>
I'd appreciate your suggestions on the correct syntax for setting the unit box.
Many thanks in advance
George
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Received on Mon May 09 2011 - 11:30:02 PDT
