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<P>Hello, I am still using GROMACS v2.0... and I am unable to properly simulate a POPC lipid bilayer. I have followed the steps described by Tieleman in: </P>
<P>D.P. Tieleman, Theoretical studies of membrane models: molecular dynamics of water, lipids and membrane proteins. PhD thesis, University of Groningen, 14 December 1998. </P>
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<P>In my simulation (of an 8x8 lipid bilayer surrounded by 3000 water molecules), the hydrocarbon chains appear to be repelling each other. </P>
<P>Could someone look at my data files and let me know if I have overlooked something? If so, e-mail me at <A href="mailto:rdoherty@chat.carleton.ca">rdoherty@chat.carleton.ca</A> .</P>
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<P>Thanks, </P>
<P><BR>Ryan Doherty</P>
<P>Ottawa, Canada<BR><BR></P></DIV></div><br clear=all><hr>Get your FREE download of MSN Explorer at <a href='http://go.msn.com/bql/hmtag_itl_EN.asp'>http://explorer.msn.com</a><br></html>