I am trying to do a restrained minimization of a small peptide in an
octahedral box of TIP3P water. When I run Sander I am getting the
following error message:
Error: ifbox=2 in prmtop but angles are not correct
Can anyone tell me what this means and how to fix it?
Thanks!
JMB
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Received on Wed Feb 16 2005 - 14:53:00 PST
