Hi all,
I am trying to put a water shell around my protein using
a=loadpdb center_ammonia_xd1.pdb (center_ammonia_xd1.pdb is the name of
my pdb file)
solvateShell a WATBOX216 12.0 0.8
Then tleap prints the following message for me and does NOT do what I want
solvateShell: Argument #2 is type String must be of type: [unit]
usage: solvateShell <solute> <solvent> <buffer> [closeness]
Can anyone please tell me what is wrong with what I have done?
Thank you
Sajeewa Dewage
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Received on Tue Jun 19 2012 - 15:00:03 PDT
