[gmx-users] bilayer DMPC

chris.neale at utoronto.ca chris.neale at utoronto.ca
Wed May 14 08:12:31 CEST 2008


Please post again, this time turn off your html formatting in your  
email. It is too difficult for me to read with all of the &nbsp  
characters.

Also, please be more explicit about what the problem is. Is your area  
per lipid too small? It seems that way, but I did not use DMPC myself.  
I use POPC and have 62A per lipid at 323K, well within the  
experimental values. Where did you get your starting structure from?  
Note that 1.5ns is much smaller than the time required to equilibrate  
area per lipid (on the order of 10-50ns).

Chris.


-- original message (partial) --

I have suffering from a problem with dmpc bilayer simulation at
300K
with oplsaa-berger combination that is showing area of 50nm2 after 1.5
ns from g_energy and g_traj. I have used half-epsilon double pairlist
method. the itp and mdp files are attached with. However editconf again
showing the correct box vectors after 1.5 ns, that was 6.176 6.167 9.008<br>




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