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<DIV><FONT face=Arial size=2>Hi all,</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I am trying to simulate the interactions amyloid
beta peptide with DPPC. I used an mdp file with:</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>constrain algorithm: shake</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>rvdw=1.0</FONT></DIV>
<DIV><FONT face=Arial size=2>rcoulomb=1.8</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Berendsen Temperature coupling was used - 300 k,
tau_t=0.1</FONT></DIV>
<DIV><FONT face=Arial size=2>Pressure = 1bar, tau_p=1.0</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>When i tried running the md i got an error that
said:</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>1-4 interactions greater than 1</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Then the simulation stopped
completely.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Can anyone help me with this?</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Thanks</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Aswin</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
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