Dear everybody,
According to your instruction in this site
拢潞
http://archive.ambermd.org/201211/0214.html, I built the box for octane.
uncalibrated and converted it to pdb. But when I tried to use it, the error
occurred. I couldn't get the reasons for these error.
Please help me!
the .in file is:
source leaprc.gaff
source leaprc.ff99SB
loadamberparams toluene.frcmod
lip=loadpdb lipase.pdb
TOL=loadpdb toluenebox.pdb
solvatebox lip TOL 2.0
saveamberparm lip lip.prmtop lip.inpcrd
quit
the output message was attached please check.
Furthermore拢卢 there a
THANKS AND BEST REGARDS!
xiaofeng
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Received on Mon Jan 14 2013 - 02:30:03 PST
